CID 9216

Dibenzo-p-dioxin

Structural Information

Molecular Formula

C₁₂H₈O₂

SMILES

C1=CC=C2C(=C1)OC3=CC=CC=C3O2

InChI

InChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H

InChIKey

NFBOHOGPQUYFRF-UHFFFAOYSA-N

Compound name

dibenzo-p-dioxin

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 462
References: 8114
Patents: 184.05243 Da
Monoisotopic Mass: 4.4
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]+	185.059706	132.9
[M+Na]+	207.041648	142.2
[M-H]-	183.045154	139.9
[M+NH4]+	202.086253	152.2
[M+K]+	223.015588	141.3
[M+H-H2O]+	167.049690	126.6
[M+HCOO]-	229.050631	153.5
[M+CH3COO]-	243.066281	147.4
[M+Na-2H]-	205.027096	145.8
[M]+	184.05188142	134.5
[M]-	184.05297858	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe