CID 145913284

6-formylpyridine-2-sulfonyl fluoride

Structural Information

Molecular Formula
C6H4FNO3S
SMILES
C1=CC(=NC(=C1)S(=O)(=O)F)C=O
InChI
InChI=1S/C6H4FNO3S/c7-12(10,11)6-3-1-2-5(4-9)8-6/h1-4H
InChIKey
JLJQKYCTSHKBFP-UHFFFAOYSA-N
Compound name
6-formylpyridine-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.9896 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.996876 131.9
[M+Na]+ 211.978818 142.7
[M-H]- 187.982324 133.8
[M+NH4]+ 207.023423 150.8
[M+K]+ 227.952758 139.9
[M+H-H2O]+ 171.986860 125.3
[M+HCOO]- 233.987801 149.5
[M+CH3COO]- 248.003451 176.4
[M+Na-2H]- 209.964266 137.7
[M]+ 188.98905142 134.3
[M]- 188.99014858 134.3
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.