CID 13024731

Ethyl benzofuran-3-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

CCOC(=O)C1=COC2=CC=CC=C21

InChI

InChI=1S/C11H10O3/c1-2-13-11(12)9-7-14-10-6-4-3-5-8(9)10/h3-7H,2H2,1H3

InChIKey

JNLHHFVLQDYFFB-UHFFFAOYSA-N

Compound name

ethyl 1-benzofuran-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 190.06299 Da
Monoisotopic Mass: 3.3
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]+	191.07027	137.0
[M+Na]+	213.05221	150.5
[M+NH4]+	208.09681	145.8
[M+K]+	229.02615	146.3
[M-H]-	189.05571	140.2
[M+Na-2H]-	211.03766	143.2
[M]+	190.06244	139.8
[M]-	190.06354	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe