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

0
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]+ 331.11763 174.9
[M+Na]+ 353.09957 186.9
[M-H]- 329.10307 183.7
[M+NH4]+ 348.14417 192.8
[M+K]+ 369.07351 186.8
[M+H-H2O]+ 313.10761 170.7
[M+HCOO]- 375.10855 197.9
[M+CH3COO]- 389.12420 210.7
[M+Na-2H]- 351.08502 177.2
[M]+ 330.10980 188.9
[M]- 330.11090 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.