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

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]+	219.065176	144.3
[M+Na]+	241.047118	153.2
[M-H]-	217.050624	149.8
[M+NH4]+	236.091723	164.5
[M+K]+	257.021058	151.9
[M+H-H2O]+	201.055160	139.2
[M+HCOO]-	263.056101	166.6
[M+CH3COO]-	277.071751	185.6
[M+Na-2H]-	239.032566	149.2
[M]+	218.05735142	147.7
[M]-	218.05844858	147.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.