CID 67997697

5-bromo-3-methyl-2-(methylsulfonyl)pyridine

Structural Information

Molecular Formula

C₇H₈BrNO₂S

SMILES

CC1=CC(=CN=C1S(=O)(=O)C)Br

InChI

InChI=1S/C7H8BrNO2S/c1-5-3-6(8)4-9-7(5)12(2,10)11/h3-4H,1-2H3

InChIKey

BIGLYKUCDVZBLW-UHFFFAOYSA-N

Compound name

5-bromo-3-methyl-2-methylsulfonylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 248.9459 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]+	249.95318	132.6
[M+Na]+	271.93512	136.3
[M+NH4]+	266.97972	137.1
[M+K]+	287.90906	136.0
[M-H]-	247.93862	132.1
[M+Na-2H]-	269.92057	136.3
[M]+	248.94535	132.2
[M]-	248.94645	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe