RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0017213
RefMet name	Enflurane
Systematic name	2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane
Synonyms	PubChem Synonyms
Exact mass	183.971433 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C3H2ClF5O	View other entries in RefMet with this formula
Molecular descriptors
Molfile	53155 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H
InChIKey	JPGQOUSTVILISH-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(C(F)(F)OC(F)F)(Cl)F Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organohalogen compounds
Main Class	Organohalogen compounds
Sub Class	Organofluorides
Distribution of Enflurane in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Enflurane
External Links
Pubchem CID	3226
ChEBI ID	4792
KEGG ID	C07516
HMDB ID	HMDB0014373
EPA CompTox	DTXCID30562
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)