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

9652
Patents

318.0659 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.