CID 122163935

Pyridine-4-sulfonyl fluoride

Structural Information

Molecular Formula
C5H4FNO2S
SMILES
C1=CN=CC=C1S(=O)(=O)F
InChI
InChI=1S/C5H4FNO2S/c6-10(8,9)5-1-3-7-4-2-5/h1-4H
InChIKey
XACQINRXYDRMMS-UHFFFAOYSA-N
Compound name
pyridine-4-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

160.99467 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.001946 125.5
[M+Na]+ 183.983888 135.8
[M-H]- 159.987394 127.3
[M+NH4]+ 179.028493 145.5
[M+K]+ 199.957828 133.4
[M+H-H2O]+ 143.991930 119.0
[M+HCOO]- 205.992871 143.1
[M+CH3COO]- 220.008521 171.1
[M+Na-2H]- 181.969336 132.3
[M]+ 160.99412142 126.4
[M]- 160.99521858 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