CID 55116

1,3,4,6,7-pentachlorodibenzofuran

Structural Information

Molecular Formula
C12H3Cl5O
SMILES
C1=CC(=C(C2=C1C3=C(O2)C(=C(C=C3Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H3Cl5O/c13-5-2-1-4-8-6(14)3-7(15)10(17)12(8)18-11(4)9(5)16/h1-3H
InChIKey
JVYYDUWJIJMOGW-UHFFFAOYSA-N
Compound name
1,3,4,6,7-pentachlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

337.86264 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.86992 171.3
[M+Na]+ 360.85186 188.9
[M+NH4]+ 355.89646 180.9
[M+K]+ 376.82580 179.9
[M-H]- 336.85536 174.8
[M+Na-2H]- 358.83731 176.6
[M]+ 337.86209 176.4
[M]- 337.86319 176.4
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.