CID 154577621

4-fluoropyridine-3-sulfonyl fluoride

Structural Information

Molecular Formula
C5H3F2NO2S
SMILES
C1=CN=CC(=C1F)S(=O)(=O)F
InChI
InChI=1S/C5H3F2NO2S/c6-4-1-2-8-3-5(4)11(7,9)10/h1-3H
InChIKey
HWFSZFLZMWHGGI-UHFFFAOYSA-N
Compound name
4-fluoropyridine-3-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.98526 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.99254 127.1
[M+Na]+ 201.97448 138.2
[M-H]- 177.97798 127.8
[M+NH4]+ 197.01908 146.5
[M+K]+ 217.94842 135.4
[M+H-H2O]+ 161.98252 119.8
[M+HCOO]- 223.98346 143.6
[M+CH3COO]- 237.99911 175.0
[M+Na-2H]- 199.95993 132.7
[M]+ 178.98471 127.3
[M]- 178.98581 127.3
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.