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

23
Patents

320.08154 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.088816 170.0
[M+Na]+ 343.070758 176.9
[M-H]- 319.074264 174.2
[M+NH4]+ 338.115363 183.6
[M+K]+ 359.044698 172.3
[M+H-H2O]+ 303.078800 164.1
[M+HCOO]- 365.079741 183.4
[M+CH3COO]- 379.095391 201.6
[M+Na-2H]- 341.056206 172.4
[M]+ 320.08099142 172.9
[M]- 320.08208858 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

literature stripe

Patent stripe

patents stripe