CID 116684753

2-bromo-6-methylpyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C6H5BrClNO2S
SMILES
CC1=NC(=C(C=C1)S(=O)(=O)Cl)Br
InChI
InChI=1S/C6H5BrClNO2S/c1-4-2-3-5(6(7)9-4)12(8,10)11/h2-3H,1H3
InChIKey
JHDIGQSFTKBJSN-UHFFFAOYSA-N
Compound name
2-bromo-6-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 132.5
[M+Na]+ 291.88052 148.2
[M-H]- 267.88402 139.1
[M+NH4]+ 286.92512 153.6
[M+K]+ 307.85446 135.2
[M+H-H2O]+ 251.88856 134.3
[M+HCOO]- 313.88950 144.5
[M+CH3COO]- 327.90515 187.8
[M+Na-2H]- 289.86597 140.1
[M]+ 268.89075 155.9
[M]- 268.89185 155.9
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.