CID 3339

Fenofibrate

Structural Information

Molecular Formula
C20H21ClO4
SMILES
CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
InChIKey
YMTINGFKWWXKFG-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

4119
References

63905
Patents

360.11282 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.120096 181.3
[M+Na]+ 383.102038 187.9
[M-H]- 359.105544 188.0
[M+NH4]+ 378.146643 194.7
[M+K]+ 399.075978 184.3
[M+H-H2O]+ 343.110080 174.5
[M+HCOO]- 405.111021 196.0
[M+CH3COO]- 419.126671 214.6
[M+Na-2H]- 381.087486 182.1
[M]+ 360.11227142 187.8
[M]- 360.11336858 187.8
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