CID 117104888

O-[1-(3-bromophenyl)ethyl]hydroxylamine hydrochloride

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

CC(C1=CC(=CC=C1)Br)ON

InChI

InChI=1S/C8H10BrNO/c1-6(11-10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3

InChIKey

IGAORPMYAJWQJR-UHFFFAOYSA-N

Compound name

O-[1-(3-bromophenyl)ethyl]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.99458 Da
Monoisotopic Mass: 1.9
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]+	216.001856	138.7
[M+Na]+	237.983798	149.2
[M-H]-	213.987304	144.5
[M+NH4]+	233.028403	160.3
[M+K]+	253.957738	138.7
[M+H-H2O]+	197.991840	138.2
[M+HCOO]-	259.992781	160.4
[M+CH3COO]-	274.008431	186.7
[M+Na-2H]-	235.969246	145.4
[M]+	214.99403142	156.1
[M]-	214.99512858	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.