CID 16777591

N-(3-amino-4-chlorophenyl)methanesulfonamide

Structural Information

Molecular Formula

C₇H₉ClN₂O₂S

SMILES

CS(=O)(=O)NC1=CC(=C(C=C1)Cl)N

InChI

InChI=1S/C7H9ClN2O2S/c1-13(11,12)10-5-2-3-6(8)7(9)4-5/h2-4,10H,9H2,1H3

InChIKey

CZHASNCRXYVDAO-UHFFFAOYSA-N

Compound name

N-(3-amino-4-chlorophenyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 220.00732 Da
Monoisotopic Mass: 1.3
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]+	221.01460	144.3
[M+Na]+	242.99654	155.3
[M+NH4]+	238.04114	152.1
[M+K]+	258.97048	148.3
[M-H]-	219.00004	146.1
[M+Na-2H]-	240.98199	149.8
[M]+	220.00677	146.9
[M]-	220.00787	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe