CID 78530

4808-48-4

Structural Information

Molecular Formula

C₁₆H₁₀O₃

SMILES

C1=CC=C(C=C1)C2=C(C(=O)OC2=O)C3=CC=CC=C3

InChI

InChI=1S/C16H10O3/c17-15-13(11-7-3-1-4-8-11)14(16(18)19-15)12-9-5-2-6-10-12/h1-10H

InChIKey

OUJCFCNZIUTYBH-UHFFFAOYSA-N

Compound name

3,4-diphenylfuran-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1358
Patents: 250.06299 Da
Monoisotopic Mass: 3.1
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]+	251.070266	152.8
[M+Na]+	273.052208	162.2
[M-H]-	249.055714	164.1
[M+NH4]+	268.096813	170.2
[M+K]+	289.026148	159.1
[M+H-H2O]+	233.060250	145.6
[M+HCOO]-	295.061191	177.4
[M+CH3COO]-	309.076841	166.9
[M+Na-2H]-	271.037656	157.3
[M]+	250.06244142	154.0
[M]-	250.06353858	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe