CID 55112

2,3,4,8-tetrachlorodibenzofuran

Structural Information

Molecular Formula
C12H4Cl4O
SMILES
C1=CC2=C(C=C1Cl)C3=CC(=C(C(=C3O2)Cl)Cl)Cl
InChI
InChI=1S/C12H4Cl4O/c13-5-1-2-9-6(3-5)7-4-8(14)10(15)11(16)12(7)17-9/h1-4H
InChIKey
IIKXRERKNIJJQY-UHFFFAOYSA-N
Compound name
2,3,4,8-tetrachlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

303.9016 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.908876 161.7
[M+Na]+ 326.890818 176.3
[M-H]- 302.894324 165.2
[M+NH4]+ 321.935423 180.9
[M+K]+ 342.864758 170.0
[M+H-H2O]+ 286.898860 158.7
[M+HCOO]- 348.899801 165.0
[M+CH3COO]- 362.915451 173.9
[M+Na-2H]- 324.876266 165.3
[M]+ 303.90105142 168.5
[M]- 303.90214858 168.5
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.