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

2597
Patents

190.02661 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03389 136.1
[M+Na]+ 213.01583 145.2
[M-H]- 189.01933 145.1
[M+NH4]+ 208.06043 156.1
[M+K]+ 228.98977 146.4
[M+H-H2O]+ 173.02387 131.3
[M+HCOO]- 235.02481 162.1
[M+CH3COO]- 249.04046 178.5
[M+Na-2H]- 211.00128 141.7
[M]+ 190.02606 141.1
[M]- 190.02716 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