CID 854537

300556-87-0

Structural Information

Molecular Formula
C17H14O6
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC=CO3)C
InChI
InChI=1S/C17H14O6/c1-3-20-17(19)15-10(2)22-13-7-6-11(9-12(13)15)23-16(18)14-5-4-8-21-14/h4-9H,3H2,1-2H3
InChIKey
BMVXFPUZYMJBMG-UHFFFAOYSA-N
Compound name
ethyl 5-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

314.07904 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.086316 169.1
[M+Na]+ 337.068258 178.9
[M-H]- 313.071764 179.6
[M+NH4]+ 332.112863 185.7
[M+K]+ 353.042198 179.4
[M+H-H2O]+ 297.076300 163.9
[M+HCOO]- 359.077241 192.9
[M+CH3COO]- 373.092891 203.6
[M+Na-2H]- 335.053706 171.7
[M]+ 314.07849142 179.3
[M]- 314.07958858 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe