CID 18761018

3-(4-bromophenoxy)propan-1-ol

Structural Information

Molecular Formula

C₉H₁₁BrO₂

SMILES

C1=CC(=CC=C1OCCCO)Br

InChI

InChI=1S/C9H11BrO2/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5,11H,1,6-7H2

InChIKey

PFKPRUNICVIARC-UHFFFAOYSA-N

Compound name

3-(4-bromophenoxy)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
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	141.9
[M+Na]+	252.98347	145.3
[M+NH4]+	248.02807	146.8
[M+K]+	268.95741	144.8
[M-H]-	228.98697	142.3
[M+Na-2H]-	250.96892	145.5
[M]+	229.99370	141.3
[M]-	229.99480	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe