CID 45792531

5-fluoropyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C5H3ClFNO2S
SMILES
C1=C(C=NC=C1S(=O)(=O)Cl)F
InChI
InChI=1S/C5H3ClFNO2S/c6-11(9,10)5-1-4(7)2-8-3-5/h1-3H
InChIKey
FSAMEVYXVKKALC-UHFFFAOYSA-N
Compound name
5-fluoropyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

194.9557 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.962976 129.7
[M+Na]+ 217.944918 141.4
[M-H]- 193.948424 131.9
[M+NH4]+ 212.989523 149.5
[M+K]+ 233.918858 137.4
[M+H-H2O]+ 177.952960 124.3
[M+HCOO]- 239.953901 142.7
[M+CH3COO]- 253.969551 176.1
[M+Na-2H]- 215.930366 135.6
[M]+ 194.95515142 132.9
[M]- 194.95624858 132.9
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