CID 28604079

4-(3-bromophenoxy)benzaldehyde

Structural Information

Molecular Formula

C₁₃H₉BrO₂

SMILES

C1=CC(=CC(=C1)Br)OC2=CC=C(C=C2)C=O

InChI

InChI=1S/C13H9BrO2/c14-11-2-1-3-13(8-11)16-12-6-4-10(9-15)5-7-12/h1-9H

InChIKey

WOJPUZRGCMLGCY-UHFFFAOYSA-N

Compound name

4-(3-bromophenoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 275.97858 Da
Monoisotopic Mass: 4.1
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]+	276.98586	149.7
[M+Na]+	298.96780	155.8
[M+NH4]+	294.01240	155.3
[M+K]+	314.94174	154.0
[M-H]-	274.97130	152.8
[M+Na-2H]-	296.95325	156.5
[M]+	275.97803	150.4
[M]-	275.97913	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe