CID 95794

3-amino-4-chlorobenzenesulphonamide

Structural Information

Molecular Formula

C₆H₇ClN₂O₂S

SMILES

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

InChI

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

InChIKey

OIWCPLBCWJUCMR-UHFFFAOYSA-N

Compound name

3-amino-4-chlorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 270
Patents: 205.99167 Da
Monoisotopic Mass: 0.9
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]+	206.998946	138.1
[M+Na]+	228.980888	148.2
[M-H]-	204.984394	141.8
[M+NH4]+	224.025493	157.6
[M+K]+	244.954828	143.3
[M+H-H2O]+	188.988930	133.7
[M+HCOO]-	250.989871	153.5
[M+CH3COO]-	265.005521	183.6
[M+Na-2H]-	226.966336	142.0
[M]+	205.99112142	139.0
[M]-	205.99221858	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe