CID 55126

1,6,7-trichlorodibenzofuran

Structural Information

Molecular Formula
C12H5Cl3O
SMILES
C1=CC2=C(C3=C(O2)C(=C(C=C3)Cl)Cl)C(=C1)Cl
InChI
InChI=1S/C12H5Cl3O/c13-7-2-1-3-9-10(7)6-4-5-8(14)11(15)12(6)16-9/h1-5H
InChIKey
HEWLCNCSWBMZHG-UHFFFAOYSA-N
Compound name
1,6,7-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 153.6
[M+Na]+ 292.92982 168.3
[M-H]- 268.93332 158.9
[M+NH4]+ 287.97442 174.6
[M+K]+ 308.90376 161.9
[M+H-H2O]+ 252.93786 150.2
[M+HCOO]- 314.93880 162.8
[M+CH3COO]- 328.95445 167.4
[M+Na-2H]- 290.91527 159.6
[M]+ 269.94005 161.2
[M]- 269.94115 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.