CID 45791413

5-bromo-2-chloropyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C5H2BrCl2NO2S
SMILES
C1=C(C=NC(=C1S(=O)(=O)Cl)Cl)Br
InChI
InChI=1S/C5H2BrCl2NO2S/c6-3-1-4(12(8,10)11)5(7)9-2-3/h1-2H
InChIKey
ZRVOONOBKHYCNV-UHFFFAOYSA-N
Compound name
5-bromo-2-chloropyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

288.83667 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.84395 138.8
[M+Na]+ 311.82589 144.0
[M+NH4]+ 306.87049 143.8
[M+K]+ 327.79983 142.5
[M-H]- 287.82939 138.2
[M+Na-2H]- 309.81134 142.7
[M]+ 288.83612 139.2
[M]- 288.83722 139.2
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

patents stripe