CID 293028

2-acetyldibenzofuran

Structural Information

Molecular Formula

C₁₄H₁₀O₂

SMILES

CC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C32

InChI

InChI=1S/C14H10O2/c1-9(15)10-6-7-14-12(8-10)11-4-2-3-5-13(11)16-14/h2-8H,1H3

InChIKey

QZSVCHFRQANVHN-UHFFFAOYSA-N

Compound name

1-dibenzofuran-2-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 210.06808 Da
Monoisotopic Mass: 3.8
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]+	211.075356	142.3
[M+Na]+	233.057298	153.3
[M-H]-	209.060804	149.5
[M+NH4]+	228.101903	164.1
[M+K]+	249.031238	150.6
[M+H-H2O]+	193.065340	136.9
[M+HCOO]-	255.066281	165.9
[M+CH3COO]-	269.081931	157.3
[M+Na-2H]-	231.042746	150.5
[M]+	210.06753142	146.7
[M]-	210.06862858	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe