CID 4037

Meclofenamic acid

Structural Information

Molecular Formula

C₁₄H₁₁Cl₂NO₂

SMILES

CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)O)Cl

InChI

InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)

InChIKey

SBDNJUWAMKYJOX-UHFFFAOYSA-N

Compound name

2-(2,6-dichloro-3-methylanilino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1154
References: 64677
Patents: 295.0167 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]+	296.023976	161.3
[M+Na]+	318.005918	171.4
[M-H]-	294.009424	166.8
[M+NH4]+	313.050523	177.5
[M+K]+	333.979858	164.7
[M+H-H2O]+	278.013960	156.2
[M+HCOO]-	340.014901	175.2
[M+CH3COO]-	354.030551	201.4
[M+Na-2H]-	315.991366	164.0
[M]+	295.01615142	164.6
[M]-	295.01724858	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe