CID 24263891

1200575-83-2

Structural Information

Molecular Formula

C₈H₁₀BrNO₂S

SMILES

C1=CC(=CC=C1S(=O)(=O)CCN)Br

InChI

InChI=1S/C8H10BrNO2S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4H,5-6,10H2

InChIKey

UJBDHNFPJMRHII-UHFFFAOYSA-N

Compound name

2-(4-bromophenyl)sulfonylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 262.96155 Da
Monoisotopic Mass: 1.0
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]+	263.96883	139.6
[M+Na]+	285.95077	151.7
[M-H]-	261.95427	145.8
[M+NH4]+	280.99537	160.1
[M+K]+	301.92471	139.1
[M+H-H2O]+	245.95881	139.5
[M+HCOO]-	307.95975	156.5
[M+CH3COO]-	321.97540	190.2
[M+Na-2H]-	283.93622	146.1
[M]+	262.96100	159.3
[M]-	262.96210	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe