CID 56629965

Pyridine-3-sulfonyl fluoride

Structural Information

Molecular Formula
C5H4FNO2S
SMILES
C1=CC(=CN=C1)S(=O)(=O)F
InChI
InChI=1S/C5H4FNO2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H
InChIKey
POSVHXOPGVZFGL-UHFFFAOYSA-N
Compound name
pyridine-3-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

160.99467 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.00195 125.5
[M+Na]+ 183.98389 135.8
[M-H]- 159.98739 127.3
[M+NH4]+ 179.02849 145.5
[M+K]+ 199.95783 133.4
[M+H-H2O]+ 143.99193 119.0
[M+HCOO]- 205.99287 143.1
[M+CH3COO]- 220.00852 171.1
[M+Na-2H]- 181.96934 132.3
[M]+ 160.99412 126.4
[M]- 160.99522 126.4
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

patents stripe