CID 22391981

3-bromo-5-(methylsulfonyl)pyridine

Structural Information

Molecular Formula

C₆H₆BrNO₂S

SMILES

CS(=O)(=O)C1=CC(=CN=C1)Br

InChI

InChI=1S/C6H6BrNO2S/c1-11(9,10)6-2-5(7)3-8-4-6/h2-4H,1H3

InChIKey

CNAIMMQZMLBREW-UHFFFAOYSA-N

Compound name

3-bromo-5-methylsulfonylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 240
Patents: 234.93027 Da
Monoisotopic Mass: 0.8
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]+	235.93755	128.3
[M+Na]+	257.91949	131.8
[M+NH4]+	252.96409	132.9
[M+K]+	273.89343	131.7
[M-H]-	233.92299	127.7
[M+Na-2H]-	255.90494	132.4
[M]+	234.92972	127.9
[M]-	234.93082	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe