CID 53441093

142363-61-9

Structural Information

Molecular Formula

C₉H₁₁BrO₂

SMILES

COC1=CC=CC=C1C(CBr)O

InChI

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

InChIKey

FROJNSZKFGHHNR-UHFFFAOYSA-N

Compound name

2-bromo-1-(2-methoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 229.99425 Da
Monoisotopic Mass: 1.8
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	142.1
[M+Na]+	252.983468	152.7
[M-H]-	228.986974	147.2
[M+NH4]+	248.028073	163.2
[M+K]+	268.957408	142.3
[M+H-H2O]+	212.991510	142.4
[M+HCOO]-	274.992451	162.1
[M+CH3COO]-	289.008101	185.1
[M+Na-2H]-	250.968916	148.7
[M]+	229.99370142	161.2
[M]-	229.99479858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe