CID 84712744

2408969-88-8

Structural Information

Molecular Formula
C6H5BrClNO2S
SMILES
C1=C(C=NC=C1Br)CS(=O)(=O)Cl
InChI
InChI=1S/C6H5BrClNO2S/c7-6-1-5(2-9-3-6)4-12(8,10)11/h1-3H,4H2
InChIKey
ONRPRHDJLLRJKO-UHFFFAOYSA-N
Compound name
(5-bromopyridin-3-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.8913 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.89858 133.2
[M+Na]+ 291.88052 148.1
[M-H]- 267.88402 139.4
[M+NH4]+ 286.92512 154.0
[M+K]+ 307.85446 135.1
[M+H-H2O]+ 251.88856 134.8
[M+HCOO]- 313.88950 145.3
[M+CH3COO]- 327.90515 186.7
[M+Na-2H]- 289.86597 141.3
[M]+ 268.89075 156.3
[M]- 268.89185 156.3
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.