CID 66139

4-phenoxybenzaldehyde

Structural Information

Molecular Formula

C₁₃H₁₀O₂

SMILES

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

InChI

InChI=1S/C13H10O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-10H

InChIKey

QWLHJVDRPZNVBS-UHFFFAOYSA-N

Compound name

4-phenoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 2467
Patents: 198.06808 Da
Monoisotopic Mass: 3.2
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]+	199.07536	141.7
[M+Na]+	221.05730	157.5
[M+NH4]+	216.10190	151.3
[M+K]+	237.03124	149.1
[M-H]-	197.06080	146.8
[M+Na-2H]-	219.04275	152.7
[M]+	198.06753	145.6
[M]-	198.06863	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe