CID 41510

1,2,3,4,7,8,9-heptachlorodibenzofuran

Structural Information

Molecular Formula
C12HCl7O
SMILES
C1=C2C(=C(C(=C1Cl)Cl)Cl)C3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl
InChI
InChI=1S/C12HCl7O/c13-2-1-3-4(7(15)6(2)14)5-8(16)9(17)10(18)11(19)12(5)20-3/h1H
InChIKey
VEZCTZWLJYWARH-UHFFFAOYSA-N
Compound name
1,2,3,4,7,8,9-heptachlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

173
Patents

405.7847 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.79198 190.4
[M+Na]+ 428.77392 201.3
[M-H]- 404.77742 186.5
[M+NH4]+ 423.81852 201.9
[M+K]+ 444.74786 198.4
[M+H-H2O]+ 388.78196 187.5
[M+HCOO]- 450.78290 177.1
[M+CH3COO]- 464.79855 195.6
[M+Na-2H]- 426.75937 185.2
[M]+ 405.78415 189.5
[M]- 405.78525 189.5
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