CID 18379608

1-bromo-3-(2-methoxyethoxy)benzene

Structural Information

Molecular Formula

C₉H₁₁BrO₂

SMILES

COCCOC1=CC(=CC=C1)Br

InChI

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

InChIKey

CFUFZUWSBHTKRQ-UHFFFAOYSA-N

Compound name

1-bromo-3-(2-methoxyethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
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]+	231.00153	140.9
[M+Na]+	252.98347	144.7
[M+NH4]+	248.02807	146.1
[M+K]+	268.95741	144.0
[M-H]-	228.98697	141.7
[M+Na-2H]-	250.96892	145.1
[M]+	229.99370	140.5
[M]-	229.99480	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe