CID 19069422

3-methyl-4-phenoxybenzaldehyde

Structural Information

Molecular Formula

C₁₄H₁₂O₂

SMILES

CC1=C(C=CC(=C1)C=O)OC2=CC=CC=C2

InChI

InChI=1S/C14H12O2/c1-11-9-12(10-15)7-8-14(11)16-13-5-3-2-4-6-13/h2-10H,1H3

InChIKey

KDBKPCXRRZVODH-UHFFFAOYSA-N

Compound name

3-methyl-4-phenoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 212.08372 Da
Monoisotopic Mass: 3.8
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	145.8
[M+Na]+	235.07294	161.8
[M+NH4]+	230.11754	155.2
[M+K]+	251.04688	153.3
[M-H]-	211.07644	150.9
[M+Na-2H]-	233.05839	156.3
[M]+	212.08317	149.7
[M]-	212.08427	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe