CID 2774388

4-amino-3-nitrobenzenesulfonamide

Structural Information

Molecular Formula

C₆H₇N₃O₄S

SMILES

C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])N

InChI

InChI=1S/C6H7N3O4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H,7H2,(H2,8,12,13)

InChIKey

DZJCUJCWFQPICK-UHFFFAOYSA-N

Compound name

4-amino-3-nitrobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 217.01573 Da
Monoisotopic Mass: -0.2
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]+	218.02301	137.8
[M+Na]+	240.00495	147.4
[M+NH4]+	235.04955	144.2
[M+K]+	255.97889	145.6
[M-H]-	216.00845	139.8
[M+Na-2H]-	237.99040	142.3
[M]+	217.01518	139.7
[M]-	217.01628	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe