CID 56399

1,3,4,6,7,9-hexachlorodibenzofuran

Structural Information

Molecular Formula
C12H2Cl6O
SMILES
C1=C(C2=C(C(=C1Cl)Cl)OC3=C2C(=CC(=C3Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H2Cl6O/c13-3-1-5(15)9(17)11-7(3)8-4(14)2-6(16)10(18)12(8)19-11/h1-2H
InChIKey
TURXXOIFVABBPW-UHFFFAOYSA-N
Compound name
1,3,4,6,7,9-hexachlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

371.82367 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.830946 180.0
[M+Na]+ 394.812888 192.7
[M-H]- 370.816394 178.8
[M+NH4]+ 389.857493 194.3
[M+K]+ 410.786828 188.2
[M+H-H2O]+ 354.820930 177.3
[M+HCOO]- 416.821871 171.9
[M+CH3COO]- 430.837521 187.8
[M+Na-2H]- 392.798336 177.9
[M]+ 371.82312142 182.4
[M]- 371.82421858 182.4
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.