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

108
Patents

216.02048 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02776 139.7
[M+Na]+ 239.00970 147.0
[M-H]- 215.01320 143.3
[M+NH4]+ 234.05430 157.0
[M+K]+ 254.98364 140.1
[M+H-H2O]+ 199.01774 138.2
[M+HCOO]- 261.01868 160.1
[M+CH3COO]- 275.03433 177.9
[M+Na-2H]- 236.99515 146.8
[M]+ 216.01993 138.6
[M]- 216.02103 138.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe