CID 13102743

3-benzylbenzaldehyde

Structural Information

Molecular Formula

C₁₄H₁₂O

SMILES

C1=CC=C(C=C1)CC2=CC(=CC=C2)C=O

InChI

InChI=1S/C14H12O/c15-11-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10-11H,9H2

InChIKey

RMOKWSUUUYFPRQ-UHFFFAOYSA-N

Compound name

3-benzylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 196.08882 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]+	197.09610	143.0
[M+Na]+	219.07804	159.1
[M+NH4]+	214.12264	153.0
[M+K]+	235.05198	149.9
[M-H]-	195.08154	148.6
[M+Na-2H]-	217.06349	154.1
[M]+	196.08827	147.1
[M]-	196.08937	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe