CID 19375460

2,3-diaminobenzene-1-sulfonamide

Structural Information

Molecular Formula

C₆H₉N₃O₂S

SMILES

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

InChI

InChI=1S/C6H9N3O2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,7-8H2,(H2,9,10,11)

InChIKey

XYDLQHCWLVSLIN-UHFFFAOYSA-N

Compound name

2,3-diaminobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 23
Patents: 187.04155 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]+	188.04883	136.3
[M+Na]+	210.03077	144.9
[M+NH4]+	205.07537	143.2
[M+K]+	226.00471	140.0
[M-H]-	186.03427	138.0
[M+Na-2H]-	208.01622	140.9
[M]+	187.04100	138.1
[M]-	187.04210	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe