CID 138510

2-nitrobenzenesulfonamide

Structural Information

Molecular Formula

C₆H₆N₂O₄S

SMILES

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

InChI

InChI=1S/C6H6N2O4S/c7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-4H,(H2,7,11,12)

InChIKey

GNDKYAWHEKZHPJ-UHFFFAOYSA-N

Compound name

2-nitrobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 2484
Patents: 202.00482 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]+	203.01210	134.6
[M+Na]+	224.99404	145.5
[M+NH4]+	220.03864	141.7
[M+K]+	240.96798	142.7
[M-H]-	200.99754	136.5
[M+Na-2H]-	222.97949	140.0
[M]+	202.00427	136.8
[M]-	202.00537	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe