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

2975
Patents

190.02661 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.033886 136.1
[M+Na]+ 213.015828 145.2
[M-H]- 189.019334 145.1
[M+NH4]+ 208.060433 156.1
[M+K]+ 228.989768 146.4
[M+H-H2O]+ 173.023870 131.3
[M+HCOO]- 235.024811 162.1
[M+CH3COO]- 249.040461 178.5
[M+Na-2H]- 211.001276 141.7
[M]+ 190.02606142 141.1
[M]- 190.02715858 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe