CID 21288517

3-(phenoxymethyl)benzaldehyde

Structural Information

Molecular Formula

C₁₄H₁₂O₂

SMILES

C1=CC=C(C=C1)OCC2=CC(=CC=C2)C=O

InChI

InChI=1S/C14H12O2/c15-10-12-5-4-6-13(9-12)11-16-14-7-2-1-3-8-14/h1-10H,11H2

InChIKey

KZUJGQAFTCDBKA-UHFFFAOYSA-N

Compound name

3-(phenoxymethyl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 212.08372 Da
Monoisotopic Mass: 3.3
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]+	213.09100	146.3
[M+Na]+	235.07294	161.9
[M+NH4]+	230.11754	155.7
[M+K]+	251.04688	153.2
[M-H]-	211.07644	151.4
[M+Na-2H]-	233.05839	157.0
[M]+	212.08317	150.1
[M]-	212.08427	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe