CID 55127

1,2,3,4,6-pentachlorodibenzofuran

Structural Information

Molecular Formula
C12H3Cl5O
SMILES
C1=CC2=C(C(=C1)Cl)OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H3Cl5O/c13-5-3-1-2-4-6-7(14)8(15)9(16)10(17)12(6)18-11(4)5/h1-3H
InChIKey
LIQJBAPSLUZUTB-UHFFFAOYSA-N
Compound name
1,2,3,4,6-pentachlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

95
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