CID 56956191

6-fluoropyridine-3-sulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

194.9557 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.96298 129.7
[M+Na]+ 217.94492 141.4
[M-H]- 193.94842 131.9
[M+NH4]+ 212.98952 149.5
[M+K]+ 233.91886 137.4
[M+H-H2O]+ 177.95296 124.3
[M+HCOO]- 239.95390 142.7
[M+CH3COO]- 253.96955 176.1
[M+Na-2H]- 215.93037 135.6
[M]+ 194.95515 132.9
[M]- 194.95625 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