CID 53524

1,3,8-trichlorodibenzofuran

Structural Information

Molecular Formula
C12H5Cl3O
SMILES
C1=CC2=C(C=C1Cl)C3=C(O2)C=C(C=C3Cl)Cl
InChI
InChI=1S/C12H5Cl3O/c13-6-1-2-10-8(3-6)12-9(15)4-7(14)5-11(12)16-10/h1-5H
InChIKey
PHFSTDOPTZHECA-UHFFFAOYSA-N
Compound name
1,3,8-trichlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

5
Patents

269.9406 Da
Monoisotopic Mass

5.7
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

patents stripe