CID 619530

Dimethyl 2,2'-bifuran-5,5'-dicarboxylate

Structural Information

Molecular Formula
C12H10O6
SMILES
COC(=O)C1=CC=C(O1)C2=CC=C(O2)C(=O)OC
InChI
InChI=1S/C12H10O6/c1-15-11(13)9-5-3-7(17-9)8-4-6-10(18-8)12(14)16-2/h3-6H,1-2H3
InChIKey
JWIYSMDVJXYZFS-UHFFFAOYSA-N
Compound name
methyl 5-(5-methoxycarbonylfuran-2-yl)furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

250.04774 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.05502 150.0
[M+Na]+ 273.03696 159.8
[M-H]- 249.04046 159.6
[M+NH4]+ 268.08156 168.1
[M+K]+ 289.01090 161.7
[M+H-H2O]+ 233.04500 145.1
[M+HCOO]- 295.04594 175.8
[M+CH3COO]- 309.06159 189.8
[M+Na-2H]- 271.02241 153.5
[M]+ 250.04719 159.2
[M]- 250.04829 159.2
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