CID 90088

23405-31-4

Structural Information

Molecular Formula
C11H10O4
SMILES
CCOC(=O)C1=CC2=C(C=C1)C(=O)OC2
InChI
InChI=1S/C11H10O4/c1-2-14-10(12)7-3-4-9-8(5-7)6-15-11(9)13/h3-5H,2,6H2,1H3
InChIKey
RAQLQVDNIKWBRL-UHFFFAOYSA-N
Compound name
ethyl 1-oxo-3H-2-benzofuran-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

206.0579 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.065176 140.5
[M+Na]+ 229.047118 149.6
[M-H]- 205.050624 146.2
[M+NH4]+ 224.091723 161.3
[M+K]+ 245.021058 149.1
[M+H-H2O]+ 189.055160 135.5
[M+HCOO]- 251.056101 163.1
[M+CH3COO]- 265.071751 184.1
[M+Na-2H]- 227.032566 146.0
[M]+ 206.05735142 144.4
[M]- 206.05844858 144.4
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