CID 7213265

153435-79-1

Structural Information

Molecular Formula

C₇H₈BrNO₂S

SMILES

CNS(=O)(=O)C1=CC(=CC=C1)Br

InChI

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

InChIKey

UVSNSICXRVZAJR-UHFFFAOYSA-N

Compound name

3-bromo-N-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 242
Patents: 248.9459 Da
Monoisotopic Mass: 1.8
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]+	249.95318	134.3
[M+Na]+	271.93512	146.8
[M-H]-	247.93862	141.2
[M+NH4]+	266.97972	155.6
[M+K]+	287.90906	134.9
[M+H-H2O]+	231.94316	134.5
[M+HCOO]-	293.94410	152.2
[M+CH3COO]-	307.95975	188.0
[M+Na-2H]-	269.92057	142.3
[M]+	248.94535	154.6
[M]-	248.94645	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe