CID 50611

1,2,3,4,6,8,9-heptachlorodibenzofuran

Structural Information

Molecular Formula
C12HCl7O
SMILES
C1=C(C2=C(C3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl)C(=C1Cl)Cl)Cl
InChI
InChI=1S/C12HCl7O/c13-2-1-3(14)11-4(6(2)15)5-7(16)8(17)9(18)10(19)12(5)20-11/h1H
InChIKey
BADFHCOLISGRRW-UHFFFAOYSA-N
Compound name
1,2,3,4,6,8,9-heptachlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

405.7847 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.79198 196.4
[M+Na]+ 428.77392 210.9
[M+NH4]+ 423.81852 203.4
[M+K]+ 444.74786 201.8
[M-H]- 404.77742 197.7
[M+Na-2H]- 426.75937 198.5
[M]+ 405.78415 200.5
[M]- 405.78525 200.5
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

No patent data available for this compound.