CID 10390

Diphenylacetylene

Structural Information

Molecular Formula

C₁₄H₁₀

SMILES

C1=CC=C(C=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H

InChIKey

JRXXLCKWQFKACW-UHFFFAOYSA-N

Compound name

2-phenylethynylbenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 175
References: 20284
Patents: 178.07825 Da
Monoisotopic Mass: 4.8
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]+	179.085526	143.3
[M+Na]+	201.067468	153.6
[M-H]-	177.070974	147.5
[M+NH4]+	196.112073	160.9
[M+K]+	217.041408	146.4
[M+H-H2O]+	161.075510	130.7
[M+HCOO]-	223.076451	161.8
[M+CH3COO]-	237.092101	154.9
[M+Na-2H]-	199.052916	149.9
[M]+	178.07770142	136.2
[M]-	178.07879858	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe