CID 296454

N-(2-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)8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1H3
InChIKey
WFRCGQPFZHHIDL-UHFFFAOYSA-N
Compound name
N-(2-nitrophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
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 139.1
[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
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