CID 11286612

3-acetylbenzo[b]furan

Structural Information

Molecular Formula

C₁₀H₈O₂

SMILES

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

InChI

InChI=1S/C10H8O2/c1-7(11)9-6-12-10-5-3-2-4-8(9)10/h2-6H,1H3

InChIKey

CHGABJRZTFUHDT-UHFFFAOYSA-N

Compound name

1-(1-benzofuran-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 216
Patents: 160.05243 Da
Monoisotopic Mass: 2.0
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]+	161.05971	128.9
[M+Na]+	183.04165	143.2
[M+NH4]+	178.08625	138.5
[M+K]+	199.01559	138.7
[M-H]-	159.04515	132.7
[M+Na-2H]-	181.02710	136.0
[M]+	160.05188	132.1
[M]-	160.05298	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe