CID 65057

Diphenylcyclopropenone

Structural Information

Molecular Formula

C₁₅H₁₀O

SMILES

C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3

InChI

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

InChIKey

HCIBTBXNLVOFER-UHFFFAOYSA-N

Compound name

2,3-diphenylcycloprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 344
References: 1947
Patents: 206.07317 Da
Monoisotopic Mass: 3.3
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	147.9
[M+Na]+	229.06239	166.2
[M+NH4]+	224.10699	158.5
[M+K]+	245.03633	158.4
[M-H]-	205.06589	161.4
[M+Na-2H]-	227.04784	162.3
[M]+	206.07262	155.8
[M]-	206.07372	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe