CID 68715

Fenirofibrate

Structural Information

Molecular Formula
C17H17ClO4
SMILES
CC(C)(C(=O)O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C17H17ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10,15,19H,1-2H3,(H,20,21)
InChIKey
ASDCLYXOQCGHNT-UHFFFAOYSA-N
Compound name
2-[4-[(4-chlorophenyl)-hydroxymethyl]phenoxy]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

22
Patents

320.08154 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08882 170.0
[M+Na]+ 343.07076 176.9
[M-H]- 319.07426 174.2
[M+NH4]+ 338.11536 183.6
[M+K]+ 359.04470 172.3
[M+H-H2O]+ 303.07880 164.1
[M+HCOO]- 365.07974 183.4
[M+CH3COO]- 379.09539 201.6
[M+Na-2H]- 341.05621 172.4
[M]+ 320.08099 172.9
[M]- 320.08209 172.9
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.