CID 1502017

139517-71-8

Structural Information

Molecular Formula

C₉H₁₁BrO₂

SMILES

COC1=C(C=C(C=C1)Br)CCO

InChI

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

InChIKey

MJLMNJAALNCYOX-UHFFFAOYSA-N

Compound name

2-(5-bromo-2-methoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 229.99425 Da
Monoisotopic Mass: 2.3
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]+	231.00153	140.8
[M+Na]+	252.98347	152.5
[M-H]-	228.98697	146.1
[M+NH4]+	248.02807	162.2
[M+K]+	268.95741	141.7
[M+H-H2O]+	212.99151	141.2
[M+HCOO]-	274.99245	161.7
[M+CH3COO]-	289.00810	185.4
[M+Na-2H]-	250.96892	148.0
[M]+	229.99370	160.8
[M]-	229.99480	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe