CID 3038934

Fenofibric acid ethyl ester

Structural Information

Molecular Formula
C19H19ClO4
SMILES
CCOC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H19ClO4/c1-4-23-18(22)19(2,3)24-16-11-7-14(8-12-16)17(21)13-5-9-15(20)10-6-13/h5-12H,4H2,1-3H3
InChIKey
WAROHEJQMZXNDT-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

346.0972 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10448 178.0
[M+Na]+ 369.08642 185.3
[M-H]- 345.08992 184.7
[M+NH4]+ 364.13102 192.0
[M+K]+ 385.06036 181.3
[M+H-H2O]+ 329.09446 171.1
[M+HCOO]- 391.09540 193.9
[M+CH3COO]- 405.11105 210.8
[M+Na-2H]- 367.07187 180.3
[M]+ 346.09665 184.6
[M]- 346.09775 184.6
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