CID 53404479

6-chloropyridine-2-sulfonyl chloride

Structural Information

Molecular Formula
C5H3Cl2NO2S
SMILES
C1=CC(=NC(=C1)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C5H3Cl2NO2S/c6-4-2-1-3-5(8-4)11(7,9)10/h1-3H
InChIKey
IJPXRIBIZULCGQ-UHFFFAOYSA-N
Compound name
6-chloropyridine-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

210.92615 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.93343 133.4
[M+Na]+ 233.91537 145.2
[M-H]- 209.91887 136.5
[M+NH4]+ 228.95997 152.9
[M+K]+ 249.88931 140.4
[M+H-H2O]+ 193.92341 129.7
[M+HCOO]- 255.92435 142.3
[M+CH3COO]- 269.94000 178.3
[M+Na-2H]- 231.90082 139.1
[M]+ 210.92560 138.4
[M]- 210.92670 138.4
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