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]+ 189.99688 131.9
[M+Na]+ 211.97882 142.7
[M-H]- 187.98232 133.8
[M+NH4]+ 207.02342 150.8
[M+K]+ 227.95276 139.9
[M+H-H2O]+ 171.98686 125.3
[M+HCOO]- 233.98780 149.5
[M+CH3COO]- 248.00345 176.4
[M+Na-2H]- 209.96427 137.7
[M]+ 188.98905 134.3
[M]- 188.99015 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.