CID 55120

1,3,9-trichlorodibenzofuran

Structural Information

Molecular Formula
C12H5Cl3O
SMILES
C1=CC2=C(C(=C1)Cl)C3=C(O2)C=C(C=C3Cl)Cl
InChI
InChI=1S/C12H5Cl3O/c13-6-4-8(15)12-10(5-6)16-9-3-1-2-7(14)11(9)12/h1-5H
InChIKey
SPPGDLROKBFNNO-UHFFFAOYSA-N
Compound name
1,3,9-trichlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

269.9406 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.94788 150.9
[M+Na]+ 292.92982 169.8
[M+NH4]+ 287.97442 162.3
[M+K]+ 308.90376 161.3
[M-H]- 268.93332 156.2
[M+Na-2H]- 290.91527 158.6
[M]+ 269.94005 156.4
[M]- 269.94115 156.4
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.