CID 137949065

2137644-25-6

Structural Information

Molecular Formula
C5H4FNO3S
SMILES
C1=CNC(=O)C(=C1)S(=O)(=O)F
InChI
InChI=1S/C5H4FNO3S/c6-11(9,10)4-2-1-3-7-5(4)8/h1-3H,(H,7,8)
InChIKey
XFPAPEFBJNRRPJ-UHFFFAOYSA-N
Compound name
2-oxo-1H-pyridine-3-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.9896 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.996876 128.4
[M+Na]+ 199.978818 139.1
[M-H]- 175.982324 129.0
[M+NH4]+ 195.023423 147.1
[M+K]+ 215.952758 135.6
[M+H-H2O]+ 159.986860 122.2
[M+HCOO]- 221.987801 144.8
[M+CH3COO]- 236.003451 170.9
[M+Na-2H]- 197.964266 134.2
[M]+ 176.98905142 128.5
[M]- 176.99014858 128.5
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.