CID 107298

[3,3'-bifuran]-2,2',5,5'-tetrone, tetrahydro-

Structural Information

Molecular Formula

C₈H₆O₆

SMILES

C1C(C(=O)OC1=O)C2CC(=O)OC2=O

InChI

InChI=1S/C8H6O6/c9-5-1-3(7(11)13-5)4-2-6(10)14-8(4)12/h3-4H,1-2H2

InChIKey

OLQWMCSSZKNOLQ-UHFFFAOYSA-N

Compound name

3-(2,5-dioxooxolan-3-yl)oxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 12733
Patents: 198.01643 Da
Monoisotopic Mass: -1.1
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]+	199.02371	133.3
[M+Na]+	221.00565	142.5
[M-H]-	197.00915	141.9
[M+NH4]+	216.05025	153.4
[M+K]+	236.97959	143.7
[M+H-H2O]+	181.01369	130.0
[M+HCOO]-	243.01463	155.4
[M+CH3COO]-	257.03028	180.2
[M+Na-2H]-	218.99110	135.9
[M]+	198.01588	134.8
[M]-	198.01698	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe