RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0199709
RefMet name	Ciprofibrate
Systematic name	2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid
Synonyms	PubChem Synonyms
Exact mass	288.032 (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	C13H14Cl2O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	57559 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	KPSRODZRAIWAKH-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC(C)(C(=O)O)Oc1ccc(cc1)C1CC1(Cl)Cl Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Benzenoids
Main Class	Phenoxyacetic acids
Sub Class	Phenoxyacetic acids
Distribution of Ciprofibrate 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 Ciprofibrate
External Links
Pubchem CID	2763
ChEBI ID	50867
HMDB ID	HMDB0250268
EPA CompTox	DTXCID20331