CID 610479

Tolfenamic acid

Structural Information

Molecular Formula

C₁₄H₁₂ClNO₂

SMILES

CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)

InChIKey

YEZNLOUZAIOMLT-UHFFFAOYSA-N

Compound name

2-(3-chloro-2-methylanilino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 376
References: 29741
Patents: 261.05566 Da
Monoisotopic Mass: 5.2
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]+	262.06294	155.8
[M+Na]+	284.04488	164.6
[M-H]-	260.04838	161.7
[M+NH4]+	279.08948	172.6
[M+K]+	300.01882	159.1
[M+H-H2O]+	244.05292	149.7
[M+HCOO]-	306.05386	174.8
[M+CH3COO]-	320.06951	195.7
[M+Na-2H]-	282.03033	159.9
[M]+	261.05511	157.3
[M]-	261.05621	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe