CID 264849

Mls002703530

Structural Information

Molecular Formula

C₁₇H₁₂O₂

SMILES

C1=CC=C(C=C1)C2=CC(=CO2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H12O2/c18-17(14-9-5-2-6-10-14)15-11-16(19-12-15)13-7-3-1-4-8-13/h1-12H

InChIKey

PNKYTBAITHUYKB-UHFFFAOYSA-N

Compound name

phenyl-(5-phenylfuran-3-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 4
Patents: 248.08372 Da
Monoisotopic Mass: 4.0
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]+	249.09100	155.7
[M+Na]+	271.07294	171.5
[M+NH4]+	266.11754	165.2
[M+K]+	287.04688	165.2
[M-H]-	247.07644	163.6
[M+Na-2H]-	269.05839	166.8
[M]+	248.08317	160.4
[M]-	248.08427	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe