CID 49923

1,2,3,4,8-pentachlorodibenzofuran

Structural Information

Molecular Formula
C12H3Cl5O
SMILES
C1=CC2=C(C=C1Cl)C3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H3Cl5O/c13-4-1-2-6-5(3-4)7-8(14)9(15)10(16)11(17)12(7)18-6/h1-3H
InChIKey
ZCTNDJSCLPJCRA-UHFFFAOYSA-N
Compound name
1,2,3,4,8-pentachlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

16
Patents

337.86264 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.86992 170.5
[M+Na]+ 360.85186 184.3
[M-H]- 336.85536 171.8
[M+NH4]+ 355.89646 187.4
[M+K]+ 376.82580 178.7
[M+H-H2O]+ 320.85990 167.7
[M+HCOO]- 382.86084 167.9
[M+CH3COO]- 396.87649 180.7
[M+Na-2H]- 358.83731 171.3
[M]+ 337.86209 175.5
[M]- 337.86319 175.5
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