CID 568

Dibenzofuran

Structural Information

Molecular Formula

C₁₂H₈O

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3O2

InChI

InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H

InChIKey

TXCDCPKCNAJMEE-UHFFFAOYSA-N

Compound name

dibenzofuran

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 914
References: 123904
Patents: 168.05751 Da
Monoisotopic Mass: 4.1
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]+	169.064786	129.5
[M+Na]+	191.046728	140.7
[M-H]-	167.050234	136.6
[M+NH4]+	186.091333	153.0
[M+K]+	207.020668	138.0
[M+H-H2O]+	151.054770	124.3
[M+HCOO]-	213.055711	154.5
[M+CH3COO]-	227.071361	145.3
[M+Na-2H]-	189.032176	140.8
[M]+	168.05696142	132.7
[M]-	168.05805858	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe