CID 84691409

5-(difluoromethyl)pyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C6H4ClF2NO2S
SMILES
C1=C(C=NC=C1S(=O)(=O)Cl)C(F)F
InChI
InChI=1S/C6H4ClF2NO2S/c7-13(11,12)5-1-4(6(8)9)2-10-3-5/h1-3,6H
InChIKey
PYBAXOKYCKNZNL-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)pyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.96193 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.96921 135.3
[M+Na]+ 249.95115 146.2
[M-H]- 225.95465 135.9
[M+NH4]+ 244.99575 153.6
[M+K]+ 265.92509 142.0
[M+H-H2O]+ 209.95919 128.7
[M+HCOO]- 271.96013 145.9
[M+CH3COO]- 285.97578 182.7
[M+Na-2H]- 247.93660 139.2
[M]+ 226.96138 137.1
[M]- 226.96248 137.1
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.