CID 55102

1,3,6,9-tetrachlorodibenzofuran

Structural Information

Molecular Formula
C12H4Cl4O
SMILES
C1=CC(=C2C(=C1Cl)C3=C(O2)C=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C12H4Cl4O/c13-5-3-8(16)10-9(4-5)17-12-7(15)2-1-6(14)11(10)12/h1-4H
InChIKey
NJQQZRLWVLWNGD-UHFFFAOYSA-N
Compound name
1,3,6,9-tetrachlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

303.9016 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.90888 160.4
[M+Na]+ 326.89082 178.9
[M+NH4]+ 321.93542 170.9
[M+K]+ 342.86476 170.0
[M-H]- 302.89432 164.8
[M+Na-2H]- 324.87627 167.0
[M]+ 303.90105 165.8
[M]- 303.90215 165.8
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.