CID 12684249

4-nitropyridine-2-sulfonamide

Structural Information

Molecular Formula
C5H5N3O4S
SMILES
C1=CN=C(C=C1[N+](=O)[O-])S(=O)(=O)N
InChI
InChI=1S/C5H5N3O4S/c6-13(11,12)5-3-4(8(9)10)1-2-7-5/h1-3H,(H2,6,11,12)
InChIKey
DUASLTXMXXWORM-UHFFFAOYSA-N
Compound name
4-nitropyridine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

203.00008 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.00736 134.3
[M+Na]+ 225.98930 142.4
[M-H]- 201.99280 136.9
[M+NH4]+ 221.03390 150.8
[M+K]+ 241.96324 135.8
[M+H-H2O]+ 185.99734 132.4
[M+HCOO]- 247.99828 154.1
[M+CH3COO]- 262.01393 174.5
[M+Na-2H]- 223.97475 142.8
[M]+ 202.99953 132.8
[M]- 203.00063 132.8
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

No patent data available for this compound.