CID 843283

N-(3-nitrophenyl)methanesulfonamide

Structural Information

Molecular Formula

C₇H₈N₂O₄S

SMILES

CS(=O)(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C7H8N2O4S/c1-14(12,13)8-6-3-2-4-7(5-6)9(10)11/h2-5,8H,1H3

InChIKey

AMOWOCUREJPCKE-UHFFFAOYSA-N

Compound name

N-(3-nitrophenyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 216.02048 Da
Monoisotopic Mass: 1.2
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]+	217.02776	139.1
[M+Na]+	239.00970	150.2
[M+NH4]+	234.05430	146.2
[M+K]+	254.98364	146.9
[M-H]-	215.01320	141.2
[M+Na-2H]-	236.99515	144.8
[M]+	216.01993	141.4
[M]-	216.02103	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe