CID 1799099

2-(2-bromoethoxy)anisole

Structural Information

Molecular Formula

C₉H₁₁BrO₂

SMILES

COC1=CC=CC=C1OCCBr

InChI

InChI=1S/C9H11BrO2/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,6-7H2,1H3

InChIKey

PBRPKYRJVDJZTF-UHFFFAOYSA-N

Compound name

1-(2-bromoethoxy)-2-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 156
Patents: 229.99425 Da
Monoisotopic Mass: 2.4
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]+	231.001526	140.5
[M+Na]+	252.983468	151.8
[M-H]-	228.986974	146.8
[M+NH4]+	248.028073	162.3
[M+K]+	268.957408	141.9
[M+H-H2O]+	212.991510	140.6
[M+HCOO]-	274.992451	162.9
[M+CH3COO]-	289.008101	186.8
[M+Na-2H]-	250.968916	148.9
[M]+	229.99370142	162.0
[M]-	229.99479858	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe