CID 60146007

N-(5-bromopyridin-3-yl)methanesulfonamide

Structural Information

Molecular Formula

C₆H₇BrN₂O₂S

SMILES

CS(=O)(=O)NC1=CC(=CN=C1)Br

InChI

InChI=1S/C6H7BrN2O2S/c1-12(10,11)9-6-2-5(7)3-8-4-6/h2-4,9H,1H3

InChIKey

NGLXIPCYRBBBFC-UHFFFAOYSA-N

Compound name

N-(5-bromo-3-pyridinyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 142
Patents: 249.94116 Da
Monoisotopic Mass: 0.5
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]+	250.948436	132.5
[M+Na]+	272.930378	145.5
[M-H]-	248.933884	138.3
[M+NH4]+	267.974983	152.7
[M+K]+	288.904318	133.7
[M+H-H2O]+	232.938420	132.4
[M+HCOO]-	294.939361	149.7
[M+CH3COO]-	308.955011	187.6
[M+Na-2H]-	270.915826	141.2
[M]+	249.94061142	153.1
[M]-	249.94170858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe