CID 13266249

(2-nitrophenyl)methanesulfonamide

Structural Information

Molecular Formula

C₇H₈N₂O₄S

SMILES

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

InChI

InChI=1S/C7H8N2O4S/c8-14(12,13)5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2,(H2,8,12,13)

InChIKey

SNCFSWRNEADGAI-UHFFFAOYSA-N

Compound name

(2-nitrophenyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 104
Patents: 216.02048 Da
Monoisotopic Mass: 0.6
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]+	217.02776	138.9
[M+Na]+	239.00970	149.6
[M+NH4]+	234.05430	145.9
[M+K]+	254.98364	146.6
[M-H]-	215.01320	140.8
[M+Na-2H]-	236.99515	144.1
[M]+	216.01993	141.1
[M]-	216.02103	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe