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]+	263.968826	139.6
[M+Na]+	285.950768	151.7
[M-H]-	261.954274	145.8
[M+NH4]+	280.995373	160.1
[M+K]+	301.924708	139.1
[M+H-H2O]+	245.958810	139.5
[M+HCOO]-	307.959751	156.5
[M+CH3COO]-	321.975401	190.2
[M+Na-2H]-	283.936216	146.1
[M]+	262.96100142	159.3
[M]-	262.96209858	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe