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]+ 225.94908 137.4
[M+Na]+ 247.93102 149.5
[M-H]- 223.93452 140.6
[M+NH4]+ 242.97562 156.6
[M+K]+ 263.90496 144.5
[M+H-H2O]+ 207.93906 133.7
[M+HCOO]- 269.94000 145.9
[M+CH3COO]- 283.95565 182.4
[M+Na-2H]- 245.91647 141.9
[M]+ 224.94125 143.0
[M]- 224.94235 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.