CID 565185

Furan-2-carbonyl furan-2-carboxylate

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

130
Patents

206.02153 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02881 139.2
[M+Na]+ 229.01075 148.2
[M-H]- 205.01425 148.2
[M+NH4]+ 224.05535 158.5
[M+K]+ 244.98469 150.1
[M+H-H2O]+ 189.01879 134.2
[M+HCOO]- 251.01973 165.4
[M+CH3COO]- 265.03538 179.3
[M+Na-2H]- 226.99620 144.8
[M]+ 206.02098 145.4
[M]- 206.02208 145.4
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