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

63457
Patents

360.11282 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12010 181.3
[M+Na]+ 383.10204 187.9
[M-H]- 359.10554 188.0
[M+NH4]+ 378.14664 194.7
[M+K]+ 399.07598 184.3
[M+H-H2O]+ 343.11008 174.5
[M+HCOO]- 405.11102 196.0
[M+CH3COO]- 419.12667 214.6
[M+Na-2H]- 381.08749 182.1
[M]+ 360.11227 187.8
[M]- 360.11337 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.