CID 3038504

Lexofenac

Structural Information

Molecular Formula
C14H14O3
SMILES
C1CC(=CC(=O)C1)C2=CC=C(C=C2)CC(=O)O
InChI
InChI=1S/C14H14O3/c15-13-3-1-2-12(9-13)11-6-4-10(5-7-11)8-14(16)17/h4-7,9H,1-3,8H2,(H,16,17)
InChIKey
SRJYOCXLFRUMBY-UHFFFAOYSA-N
Compound name
2-[4-(3-oxocyclohexen-1-yl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

230.0943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.10158 149.9
[M+Na]+ 253.08352 156.1
[M-H]- 229.08702 155.0
[M+NH4]+ 248.12812 166.9
[M+K]+ 269.05746 152.7
[M+H-H2O]+ 213.09156 143.1
[M+HCOO]- 275.09250 170.0
[M+CH3COO]- 289.10815 187.8
[M+Na-2H]- 251.06897 153.0
[M]+ 230.09375 147.4
[M]- 230.09485 147.4
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.