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
5
Annotation Hits

461
References

7001
Patents

184.05243 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05971 134.6
[M+Na]+ 207.04165 151.4
[M+NH4]+ 202.08625 145.7
[M+K]+ 223.01559 143.5
[M-H]- 183.04515 142.0
[M+Na-2H]- 205.02710 142.8
[M]+ 184.05188 139.5
[M]- 184.05298 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe