CID 42128

2,3,4,7,8-pentachlorodibenzofuran

Structural Information

Molecular Formula
C12H3Cl5O
SMILES
C1=C2C3=CC(=C(C(=C3OC2=CC(=C1Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H3Cl5O/c13-6-1-4-5-2-8(15)10(16)11(17)12(5)18-9(4)3-7(6)14/h1-3H
InChIKey
OGBQILNBLMPPDP-UHFFFAOYSA-N
Compound name
2,3,4,7,8-pentachlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

163
References

1767
Patents

337.86264 Da
Monoisotopic Mass

6.9
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