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]+ 208.97823 136.1
[M+Na]+ 230.96017 147.2
[M-H]- 206.96367 137.8
[M+NH4]+ 226.00477 154.0
[M+K]+ 246.93411 141.9
[M+H-H2O]+ 190.96821 131.6
[M+HCOO]- 252.96915 149.2
[M+CH3COO]- 266.98480 177.7
[M+Na-2H]- 228.94562 140.8
[M]+ 207.97040 137.6
[M]- 207.97150 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.