CID 51119

1,4,9-trichlorodibenzofuran

Structural Information

Molecular Formula
C12H5Cl3O
SMILES
C1=CC2=C(C(=C1)Cl)C3=C(C=CC(=C3O2)Cl)Cl
InChI
InChI=1S/C12H5Cl3O/c13-6-2-1-3-9-10(6)11-7(14)4-5-8(15)12(11)16-9/h1-5H
InChIKey
NVYUPBVXKLTYHV-UHFFFAOYSA-N
Compound name
1,4,9-trichlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
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

patents stripe