CID 18636

Octachlorodibenzo-p-dioxin

Structural Information

Molecular Formula
C12Cl8O2
SMILES
C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl
InChI
InChI=1S/C12Cl8O2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10
InChIKey
FOIBFBMSLDGNHL-UHFFFAOYSA-N
Compound name
1,2,3,4,6,7,8,9-octachlorodibenzo-p-dioxin
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

96
References

584
Patents

455.74066 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.74794 211.3
[M+Na]+ 478.72988 223.8
[M+NH4]+ 473.77448 216.6
[M+K]+ 494.70382 214.3
[M-H]- 454.73338 212.2
[M+Na-2H]- 476.71533 211.3
[M]+ 455.74011 214.9
[M]- 455.74121 214.9
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