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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.101576	149.9
[M+Na]+	253.083518	156.1
[M-H]-	229.087024	155.0
[M+NH4]+	248.128123	166.9
[M+K]+	269.057458	152.7
[M+H-H2O]+	213.091560	143.1
[M+HCOO]-	275.092501	170.0
[M+CH3COO]-	289.108151	187.8
[M+Na-2H]-	251.068966	153.0
[M]+	230.09375142	147.4
[M]-	230.09484858	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.