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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.89858	135.2
[M+Na]+	291.88052	139.5
[M+NH4]+	286.92512	140.1
[M+K]+	307.85446	138.4
[M-H]-	267.88402	134.7
[M+Na-2H]-	289.86597	139.3
[M]+	268.89075	135.2
[M]-	268.89185	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.