CID 71027

3,3-diphenylacrylaldehyde

Structural Information

Molecular Formula

C₁₅H₁₂O

SMILES

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

InChI

InChI=1S/C15H12O/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H

InChIKey

MWAFWBDWAWZJGK-UHFFFAOYSA-N

Compound name

3,3-diphenylprop-2-enal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 574
Patents: 208.08882 Da
Monoisotopic Mass: 3.7
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]+	209.09610	147.4
[M+Na]+	231.07804	162.6
[M+NH4]+	226.12264	156.8
[M+K]+	247.05198	153.7
[M-H]-	207.08154	152.4
[M+Na-2H]-	229.06349	158.0
[M]+	208.08827	151.1
[M]-	208.08937	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe