CID 1394274

216443-78-6

Structural Information

Molecular Formula

C₁₄H₁₂O

SMILES

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

InChI

InChI=1S/C14H12O/c1-11-4-2-6-13(8-11)14-7-3-5-12(9-14)10-15/h2-10H,1H3

InChIKey

KAGSXBNQBKIILK-UHFFFAOYSA-N

Compound name

3-(3-methylphenyl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 196.08882 Da
Monoisotopic Mass: 3.4
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]+	197.09610	142.5
[M+Na]+	219.07804	158.9
[M+NH4]+	214.12264	152.5
[M+K]+	235.05198	150.0
[M-H]-	195.08154	148.1
[M+Na-2H]-	217.06349	153.4
[M]+	196.08827	146.7
[M]-	196.08937	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe