CID 54350848

Pyridin-3-yl sulfurofluoridate

Structural Information

Molecular Formula
C5H4FNO3S
SMILES
C1=CC(=CN=C1)OS(=O)(=O)F
InChI
InChI=1S/C5H4FNO3S/c6-11(8,9)10-5-2-1-3-7-4-5/h1-4H
InChIKey
UFQFNSHKMJFAMH-UHFFFAOYSA-N
Compound name
3-fluorosulfonyloxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

176.9896 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.99688 128.9
[M+Na]+ 199.97882 139.0
[M-H]- 175.98232 130.6
[M+NH4]+ 195.02342 148.1
[M+K]+ 215.95276 137.1
[M+H-H2O]+ 159.98686 122.2
[M+HCOO]- 221.98780 146.7
[M+CH3COO]- 236.00345 173.2
[M+Na-2H]- 197.96427 135.8
[M]+ 176.98905 131.2
[M]- 176.99015 131.2
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.