CID 2767675

2-(4-chlorophenoxy)benzaldehyde

Structural Information

Molecular Formula

C₁₃H₉ClO₂

SMILES

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

InChI

InChI=1S/C13H9ClO2/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-9H

InChIKey

ZDVNCJMGGQWZCV-UHFFFAOYSA-N

Compound name

2-(4-chlorophenoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 232.02911 Da
Monoisotopic Mass: 3.9
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]+	233.03639	147.0
[M+Na]+	255.01833	164.0
[M+NH4]+	250.06293	156.8
[M+K]+	270.99227	154.9
[M-H]-	231.02183	152.2
[M+Na-2H]-	253.00378	157.8
[M]+	232.02856	151.5
[M]-	232.02966	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe