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
6
Annotation Hits

374
References

28849
Patents

261.05566 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06294 156.7
[M+Na]+ 284.04488 171.6
[M+NH4]+ 279.08948 165.3
[M+K]+ 300.01882 163.9
[M-H]- 260.04838 161.3
[M+Na-2H]- 282.03033 165.5
[M]+ 261.05511 160.5
[M]- 261.05621 160.5
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