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

72
Patents

216.02048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02776 139.4
[M+Na]+ 239.00970 146.7
[M-H]- 215.01320 143.5
[M+NH4]+ 234.05430 157.0
[M+K]+ 254.98364 140.2
[M+H-H2O]+ 199.01774 137.9
[M+HCOO]- 261.01868 160.4
[M+CH3COO]- 275.03433 178.6
[M+Na-2H]- 236.99515 147.6
[M]+ 216.01993 139.3
[M]- 216.02103 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe