CID 116684759

1696210-42-0

Structural Information

Molecular Formula
C6H5BrClNO2S
SMILES
CC1=C(C(=NC=C1)Br)S(=O)(=O)Cl
InChI
InChI=1S/C6H5BrClNO2S/c1-4-2-3-9-6(7)5(4)12(8,10)11/h2-3H,1H3
InChIKey
YZFARFKRAAFEFD-UHFFFAOYSA-N
Compound name
2-bromo-4-methylpyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.8913 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.89858 135.2
[M+Na]+ 291.88052 139.7
[M+NH4]+ 286.92512 140.0
[M+K]+ 307.85446 138.9
[M-H]- 267.88402 134.7
[M+Na-2H]- 289.86597 139.0
[M]+ 268.89075 135.2
[M]- 268.89185 135.2
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.