CID 131283836

2091139-01-2

Structural Information

Molecular Formula
C6H2Cl2N2O2S
SMILES
C1=C(C(=C(C=N1)S(=O)(=O)Cl)Cl)C#N
InChI
InChI=1S/C6H2Cl2N2O2S/c7-6-4(1-9)2-10-3-5(6)13(8,11)12/h2-3H
InChIKey
NBHYFDHLZBJQCP-UHFFFAOYSA-N
Compound name
4-chloro-5-cyanopyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.9214 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.92868 148.2
[M+Na]+ 258.91062 161.9
[M-H]- 234.91412 151.4
[M+NH4]+ 253.95522 165.1
[M+K]+ 274.88456 157.0
[M+H-H2O]+ 218.91866 137.9
[M+HCOO]- 280.91960 154.4
[M+CH3COO]- 294.93525 195.4
[M+Na-2H]- 256.89607 151.9
[M]+ 235.92085 148.2
[M]- 235.92195 148.2
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.