RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0199348
RefMet name	Acifluorfen
Systematic name	5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid
Synonyms	PubChem Synonyms
Exact mass	360.996485 (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	C14H7ClF3NO5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	47616 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	NUFNQYOELLVIPL-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cc(c(cc1C(F)(F)F)Cl)Oc1ccc(c(c1)C(=O)O)N(=O)=O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Benzenoids
Main Class	Benzenes
Sub Class	Diphenylethers
Distribution of Acifluorfen 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 Acifluorfen
External Links
Pubchem CID	44073
ChEBI ID	73172
HMDB ID	HMDB0037112
Chemspider ID	40113
MetaCyc ID	ACIFLUORFEN
EPA CompTox	DTXCID6022
Spectral data for Acifluorfen standards
MassBank(EU)	View MS spectra