CID 850141

2-bromo-n-methylbenzenesulfonamide

Structural Information

Molecular Formula

C₇H₈BrNO₂S

SMILES

CNS(=O)(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C7H8BrNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3

InChIKey

HSCKMNXETNFFAJ-UHFFFAOYSA-N

Compound name

2-bromo-N-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 54
Patents: 248.9459 Da
Monoisotopic Mass: 1.6
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	132.4
[M+Na]+	271.93512	134.8
[M+NH4]+	266.97972	137.2
[M+K]+	287.90906	134.6
[M-H]-	247.93862	132.7
[M+Na-2H]-	269.92057	136.5
[M]+	248.94535	132.0
[M]-	248.94645	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe