CID 71725543

Ethyl (e)-2-(2-oxobenzofuran-3(2h)-ylidene)acetate

Structural Information

Molecular Formula
C12H10O4
SMILES
CCOC(=O)/C=C/1\C2=CC=CC=C2OC1=O
InChI
InChI=1S/C12H10O4/c1-2-15-11(13)7-9-8-5-3-4-6-10(8)16-12(9)14/h3-7H,2H2,1H3/b9-7+
InChIKey
HBQUJMVLXRWOBH-VQHVLOKHSA-N
Compound name
ethyl (2E)-2-(2-oxo-1-benzofuran-3-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

218.0579 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 144.3
[M+Na]+ 241.04712 153.2
[M-H]- 217.05062 149.8
[M+NH4]+ 236.09172 164.5
[M+K]+ 257.02106 151.9
[M+H-H2O]+ 201.05516 139.2
[M+HCOO]- 263.05610 166.6
[M+CH3COO]- 277.07175 185.6
[M+Na-2H]- 239.03257 149.2
[M]+ 218.05735 147.7
[M]- 218.05845 147.7
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.