CID 68119

Furil

Structural Information

Molecular Formula

C₁₀H₆O₄

SMILES

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

InChI

InChI=1S/C10H6O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H

InChIKey

SXPUVBFQXJHYNS-UHFFFAOYSA-N

Compound name

1,2-bis(furan-2-yl)ethane-1,2-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 2246
Patents: 190.02661 Da
Monoisotopic Mass: 1.2
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]+	191.03389	135.9
[M+Na]+	213.01583	147.7
[M+NH4]+	208.06043	143.3
[M+K]+	228.98977	147.7
[M-H]-	189.01933	140.1
[M+Na-2H]-	211.00128	142.1
[M]+	190.02606	138.6
[M]-	190.02716	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe