CID 32436

Trichlorodibenzofuran

Structural Information

Molecular Formula
C12H5Cl3O
SMILES
C1=CC=C2C(=C1)C3=C(O2)C(=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C12H5Cl3O/c13-7-5-8(14)11(15)12-10(7)6-3-1-2-4-9(6)16-12/h1-5H
InChIKey
FIPOITUDJFQRRN-UHFFFAOYSA-N
Compound name
1,3,4-trichlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

269.9406 Da
Monoisotopic Mass

5.5
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

patents stripe