CID 64607667

5-chloro-6-oxo-1,6-dihydropyridine-3-sulfonamide

Structural Information

Molecular Formula
C5H5ClN2O3S
SMILES
C1=C(C(=O)NC=C1S(=O)(=O)N)Cl
InChI
InChI=1S/C5H5ClN2O3S/c6-4-1-3(12(7,10)11)2-8-5(4)9/h1-2H,(H,8,9)(H2,7,10,11)
InChIKey
QKDRZZPSPWJNBK-UHFFFAOYSA-N
Compound name
5-chloro-6-oxo-1H-pyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.97095 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.978226 136.1
[M+Na]+ 230.960168 147.2
[M-H]- 206.963674 137.8
[M+NH4]+ 226.004773 154.0
[M+K]+ 246.934108 141.9
[M+H-H2O]+ 190.968210 131.6
[M+HCOO]- 252.969151 149.2
[M+CH3COO]- 266.984801 177.7
[M+Na-2H]- 228.945616 140.8
[M]+ 207.97040142 137.6
[M]- 207.97149858 137.6
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

No patent data available for this compound.