CID 72216336

6-chloro-4-methylpyridine-2-sulfonyl chloride

Structural Information

Molecular Formula
C6H5Cl2NO2S
SMILES
CC1=CC(=NC(=C1)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C6H5Cl2NO2S/c1-4-2-5(7)9-6(3-4)12(8,10)11/h2-3H,1H3
InChIKey
QOFAMZRGKLKQRQ-UHFFFAOYSA-N
Compound name
6-chloro-4-methylpyridine-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.9418 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.949076 137.4
[M+Na]+ 247.931018 149.5
[M-H]- 223.934524 140.6
[M+NH4]+ 242.975623 156.6
[M+K]+ 263.904958 144.5
[M+H-H2O]+ 207.939060 133.7
[M+HCOO]- 269.940001 145.9
[M+CH3COO]- 283.955651 182.4
[M+Na-2H]- 245.916466 141.9
[M]+ 224.94125142 143.0
[M]- 224.94234858 143.0
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.