CID 565185

2-furancarboxylic acid, anhydride

Structural Information

Molecular Formula

C₁₀H₆O₅

SMILES

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

InChI

InChI=1S/C10H6O5/c11-9(7-3-1-5-13-7)15-10(12)8-4-2-6-14-8/h1-6H

InChIKey

KCENQZYGMHVBJH-UHFFFAOYSA-N

Compound name

furan-2-carbonyl furan-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 115
Patents: 206.02153 Da
Monoisotopic Mass: 2.0
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]+	207.02881	139.2
[M+Na]+	229.01075	150.6
[M+NH4]+	224.05535	146.1
[M+K]+	244.98469	151.1
[M-H]-	205.01425	143.0
[M+Na-2H]-	226.99620	144.9
[M]+	206.02098	141.7
[M]-	206.02208	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe