CID 10013210

2-(phenylethynyl)benzaldehyde

Structural Information

Molecular Formula

C₁₅H₁₀O

SMILES

C1=CC=C(C=C1)C#CC2=CC=CC=C2C=O

InChI

InChI=1S/C15H10O/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-9,12H

InChIKey

SDSQNHMKRHPAIM-UHFFFAOYSA-N

Compound name

2-(2-phenylethynyl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 103
Patents: 206.07317 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]+	207.08045	148.5
[M+Na]+	229.06239	163.8
[M+NH4]+	224.10699	154.4
[M+K]+	245.03633	151.8
[M-H]-	205.06589	145.3
[M+Na-2H]-	227.04784	155.5
[M]+	206.07262	149.2
[M]-	206.07372	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe