CID 71725543

Chembl3819200

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.06518	145.5
[M+Na]+	241.04712	157.0
[M+NH4]+	236.09172	152.9
[M+K]+	257.02106	153.6
[M-H]-	217.05062	147.3
[M+Na-2H]-	239.03257	148.8
[M]+	218.05735	147.4
[M]-	218.05845	147.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.