CID 71691540

4,5-dichloropyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C5H2Cl3NO2S
SMILES
C1=C(C(=C(C=N1)Cl)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C5H2Cl3NO2S/c6-3-1-9-2-4(5(3)7)12(8,10)11/h1-2H
InChIKey
RKXHGORYRFDXNN-UHFFFAOYSA-N
Compound name
4,5-dichloropyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.88718 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.89446 139.0
[M+Na]+ 267.87640 151.0
[M-H]- 243.87990 141.2
[M+NH4]+ 262.92100 157.2
[M+K]+ 283.85034 145.7
[M+H-H2O]+ 227.88444 136.0
[M+HCOO]- 289.88538 142.4
[M+CH3COO]- 303.90103 185.0
[M+Na-2H]- 265.86185 142.9
[M]+ 244.88663 143.9
[M]- 244.88773 143.9
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

No patent data available for this compound.