CID 1392871

118350-17-7

Structural Information

Molecular Formula

C₁₄H₁₂O₂

SMILES

COC1=CC=C(C=C1)C2=CC=CC(=C2)C=O

InChI

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

InChIKey

MMXLQHMKFDEKHM-UHFFFAOYSA-N

Compound name

3-(4-methoxyphenyl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 212.08372 Da
Monoisotopic Mass: 3.0
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