CID 76523

3086-91-7

Structural Information

Molecular Formula

C₇H₇ClN₂O₄S

SMILES

C1=C(C(=CC(=C1S(=O)(=O)N)Cl)N)C(=O)O

InChI

InChI=1S/C7H7ClN2O4S/c8-4-2-5(9)3(7(11)12)1-6(4)15(10,13)14/h1-2H,9H2,(H,11,12)(H2,10,13,14)

InChIKey

QQLJBZFXGDHSRU-UHFFFAOYSA-N

Compound name

2-amino-4-chloro-5-sulfamoylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 62
Patents: 249.9815 Da
Monoisotopic Mass: 0.5
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]+	250.98878	149.7
[M+Na]+	272.97072	158.9
[M+NH4]+	268.01532	155.4
[M+K]+	288.94466	154.5
[M-H]-	248.97422	149.3
[M+Na-2H]-	270.95617	152.7
[M]+	249.98095	151.2
[M]-	249.98205	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe