CID 55123

3,4,6-trichlorodibenzofuran

Structural Information

Molecular Formula
C12H5Cl3O
SMILES
C1=CC2=C(C(=C1)Cl)OC3=C2C=CC(=C3Cl)Cl
InChI
InChI=1S/C12H5Cl3O/c13-8-5-4-7-6-2-1-3-9(14)11(6)16-12(7)10(8)15/h1-5H
InChIKey
XEUHBCMRIXEBTD-UHFFFAOYSA-N
Compound name
3,4,6-trichlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

269.9406 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.947876 153.6
[M+Na]+ 292.929818 168.3
[M-H]- 268.933324 158.9
[M+NH4]+ 287.974423 174.6
[M+K]+ 308.903758 161.9
[M+H-H2O]+ 252.937860 150.2
[M+HCOO]- 314.938801 162.8
[M+CH3COO]- 328.954451 167.4
[M+Na-2H]- 290.915266 159.6
[M]+ 269.94005142 161.2
[M]- 269.94114858 161.2
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.