CID 75071

2-amino-6-chlorobenzoic acid

Structural Information

Molecular Formula

C₇H₆ClNO₂

SMILES

C1=CC(=C(C(=C1)Cl)C(=O)O)N

InChI

InChI=1S/C7H6ClNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)

InChIKey

SZCPTRGBOVXVCA-UHFFFAOYSA-N

Compound name

2-amino-6-chlorobenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1873
Patents: 171.00871 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]+	172.01599	130.3
[M+Na]+	193.99793	142.9
[M+NH4]+	189.04253	138.6
[M+K]+	209.97187	137.6
[M-H]-	170.00143	132.0
[M+Na-2H]-	191.98338	136.6
[M]+	171.00816	132.7
[M]-	171.00926	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe