CID 55274751

109347-46-8

Structural Information

Molecular Formula

C₁₄H₁₂O

SMILES

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

InChI

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

InChIKey

KDNKMJQIBXTTJZ-UHFFFAOYSA-N

Compound name

2-(3-phenylphenyl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 196.08882 Da
Monoisotopic Mass: 2.9
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	141.4
[M+Na]+	219.07804	149.4
[M-H]-	195.08154	148.2
[M+NH4]+	214.12264	160.6
[M+K]+	235.05198	145.4
[M+H-H2O]+	179.08608	134.4
[M+HCOO]-	241.08702	166.3
[M+CH3COO]-	255.10267	184.4
[M+Na-2H]-	217.06349	148.9
[M]+	196.08827	141.6
[M]-	196.08937	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe