CID 236769

Diethyl 2,6-dimethylbenzo[1,2-b:4,5-b']difuran-3,7-dicarboxylate

Structural Information

Molecular Formula
C18H18O6
SMILES
CCOC(=O)C1=C(OC2=CC3=C(C=C21)OC(=C3C(=O)OCC)C)C
InChI
InChI=1S/C18H18O6/c1-5-21-17(19)15-9(3)23-13-8-12-14(7-11(13)15)24-10(4)16(12)18(20)22-6-2/h7-8H,5-6H2,1-4H3
InChIKey
CFKGXXNWAGBBFU-UHFFFAOYSA-N
Compound name
diethyl 2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.11035 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.117626 174.9
[M+Na]+ 353.099568 186.9
[M-H]- 329.103074 183.7
[M+NH4]+ 348.144173 192.8
[M+K]+ 369.073508 186.8
[M+H-H2O]+ 313.107610 170.7
[M+HCOO]- 375.108551 197.9
[M+CH3COO]- 389.124201 210.7
[M+Na-2H]- 351.085016 177.2
[M]+ 330.10980142 188.9
[M]- 330.11089858 188.9
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

No patent data available for this compound.