CID 42839

1,2,4,7,8-pentachlorodibenzofuran

Structural Information

Molecular Formula
C12H3Cl5O
SMILES
C1=C2C(=CC(=C1Cl)Cl)OC3=C2C(=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C12H3Cl5O/c13-5-1-4-9(3-6(5)14)18-12-8(16)2-7(15)11(17)10(4)12/h1-3H
InChIKey
GCFDWHIKRXCUPJ-UHFFFAOYSA-N
Compound name
1,2,4,7,8-pentachlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

3
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

patents stripe