CID 3491292

2-([1,1'-biphenyl]-4-yl)acetaldehyde

Structural Information

Molecular Formula

C₁₄H₁₂O

SMILES

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

InChI

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

InChIKey

OIDMZCMVYZLDLI-UHFFFAOYSA-N

Compound name

2-(4-phenylphenyl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 192
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	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

literature stripe

Patent stripe

patents stripe