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: 788
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]+	209.096096	145.9
[M+Na]+	231.078038	152.5
[M-H]-	207.081544	152.2
[M+NH4]+	226.122643	164.2
[M+K]+	247.051978	148.2
[M+H-H2O]+	191.086080	138.7
[M+HCOO]-	253.087021	169.6
[M+CH3COO]-	267.102671	185.7
[M+Na-2H]-	229.063486	152.3
[M]+	208.08827142	144.6
[M]-	208.08936858	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe