CID 55137

1,2,4,7-tetrachlorodibenzofuran

Structural Information

Molecular Formula
C12H4Cl4O
SMILES
C1=CC2=C(C=C1Cl)OC3=C2C(=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C12H4Cl4O/c13-5-1-2-6-9(3-5)17-12-8(15)4-7(14)11(16)10(6)12/h1-4H
InChIKey
MFURKMJLDQBHRA-UHFFFAOYSA-N
Compound name
1,2,4,7-tetrachlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

303.9016 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.90888 161.7
[M+Na]+ 326.89082 176.3
[M-H]- 302.89432 165.2
[M+NH4]+ 321.93542 180.9
[M+K]+ 342.86476 170.0
[M+H-H2O]+ 286.89886 158.7
[M+HCOO]- 348.89980 165.0
[M+CH3COO]- 362.91545 173.9
[M+Na-2H]- 324.87627 165.3
[M]+ 303.90105 168.5
[M]- 303.90215 168.5
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.