CID 12533522

1954-94-5

Structural Information

Molecular Formula

C₆H₇ClN₂O₂S

SMILES

C1=CC(=C(C=C1N)Cl)S(=O)(=O)N

InChI

InChI=1S/C6H7ClN2O2S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3H,8H2,(H2,9,10,11)

InChIKey

NIDOTDANGJJHPU-UHFFFAOYSA-N

Compound name

4-amino-2-chlorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 205.99167 Da
Monoisotopic Mass: 0.3
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]+	206.99895	138.1
[M+Na]+	228.98089	148.2
[M-H]-	204.98439	141.8
[M+NH4]+	224.02549	157.6
[M+K]+	244.95483	143.3
[M+H-H2O]+	188.98893	133.7
[M+HCOO]-	250.98987	153.5
[M+CH3COO]-	265.00552	183.6
[M+Na-2H]-	226.96634	142.0
[M]+	205.99112	139.0
[M]-	205.99222	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe