CID 56261

1,2,3,4,6,9-hexachlorodibenzofuran

Structural Information

Molecular Formula
C12H2Cl6O
SMILES
C1=CC(=C2C(=C1Cl)C3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H2Cl6O/c13-3-1-2-4(14)11-5(3)6-7(15)8(16)9(17)10(18)12(6)19-11/h1-2H
InChIKey
KFFUZIROJGXTQH-UHFFFAOYSA-N
Compound name
1,2,3,4,6,9-hexachlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

371.82367 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.83095 183.5
[M+Na]+ 394.81289 199.8
[M+NH4]+ 389.85749 191.8
[M+K]+ 410.78683 190.6
[M-H]- 370.81639 185.9
[M+Na-2H]- 392.79834 187.3
[M]+ 371.82312 188.2
[M]- 371.82422 188.2
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

No patent data available for this compound.