CID 54685119

74026-71-4

Structural Information

Molecular Formula

C₁₇H₁₄O₃

SMILES

C1=CC=C(C=C1)CC2C(=C(C(=O)O2)C3=CC=CC=C3)O

InChI

InChI=1S/C17H14O3/c18-16-14(11-12-7-3-1-4-8-12)20-17(19)15(16)13-9-5-2-6-10-13/h1-10,14,18H,11H2

InChIKey

FQKDKWYOHVWMSH-UHFFFAOYSA-N

Compound name

2-benzyl-3-hydroxy-4-phenyl-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.0943 Da
Monoisotopic Mass: 3.2
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]+	267.10158	160.3
[M+Na]+	289.08352	175.3
[M+NH4]+	284.12812	168.9
[M+K]+	305.05746	169.6
[M-H]-	265.08702	167.3
[M+Na-2H]-	287.06897	169.3
[M]+	266.09375	164.5
[M]-	266.09485	164.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.