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

12
Patents

314.07904 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08632 169.1
[M+Na]+ 337.06826 178.9
[M-H]- 313.07176 179.6
[M+NH4]+ 332.11286 185.7
[M+K]+ 353.04220 179.4
[M+H-H2O]+ 297.07630 163.9
[M+HCOO]- 359.07724 192.9
[M+CH3COO]- 373.09289 203.6
[M+Na-2H]- 335.05371 171.7
[M]+ 314.07849 179.3
[M]- 314.07959 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