CID 615334

19218-88-3

Structural Information

Molecular Formula

C₁₃H₁₀ClNO₂

SMILES

C1=CC=C(C=C1)NC2=C(C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C13H10ClNO2/c14-9-6-7-11(13(16)17)12(8-9)15-10-4-2-1-3-5-10/h1-8,15H,(H,16,17)

InChIKey

MTIKNMBLKUFLKL-UHFFFAOYSA-N

Compound name

2-anilino-4-chlorobenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 67
Patents: 247.04001 Da
Monoisotopic Mass: 5.6
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]+	248.04729	151.2
[M+Na]+	270.02923	159.6
[M-H]-	246.03273	157.0
[M+NH4]+	265.07383	168.3
[M+K]+	286.00317	154.2
[M+H-H2O]+	230.03727	145.1
[M+HCOO]-	292.03821	170.6
[M+CH3COO]-	306.05386	191.5
[M+Na-2H]-	268.01468	156.7
[M]+	247.03946	152.0
[M]-	247.04056	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe