CID 42843

2,4,6,8-tetrachlorodibenzofuran

Structural Information

Molecular Formula
C12H4Cl4O
SMILES
C1=C(C=C(C2=C1C3=C(O2)C(=CC(=C3)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H4Cl4O/c13-5-1-7-8-2-6(14)4-10(16)12(8)17-11(7)9(15)3-5/h1-4H
InChIKey
ZSPJEACWUWSAGS-UHFFFAOYSA-N
Compound name
2,4,6,8-tetrachlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

2
Patents

303.9016 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.90888 160.4
[M+Na]+ 326.89082 178.9
[M+NH4]+ 321.93542 170.9
[M+K]+ 342.86476 170.0
[M-H]- 302.89432 164.8
[M+Na-2H]- 324.87627 167.0
[M]+ 303.90105 165.8
[M]- 303.90215 165.8
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