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

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]+	204.00736	133.7
[M+Na]+	225.98930	144.6
[M+NH4]+	221.03390	140.1
[M+K]+	241.96324	142.3
[M-H]-	201.99280	134.8
[M+Na-2H]-	223.97475	138.9
[M]+	202.99953	135.6
[M]-	203.00063	135.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.