CID 64929

Fenofibric acid

Structural Information

Molecular Formula

C₁₇H₁₅ClO₄

SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)

InChIKey

MQOBSOSZFYZQOK-UHFFFAOYSA-N

Compound name

2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 204
References: 9669
Patents: 318.0659 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	319.07318	168.6
[M+Na]+	341.05512	176.3
[M-H]-	317.05862	174.3
[M+NH4]+	336.09972	183.0
[M+K]+	357.02906	171.9
[M+H-H2O]+	301.06316	162.5
[M+HCOO]-	363.06410	183.7
[M+CH3COO]-	377.07975	203.2
[M+Na-2H]-	339.04057	171.6
[M]+	318.06535	172.7
[M]-	318.06645	172.7

Literature stripe

literature stripe

Patent stripe

patents stripe