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
3
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]+ 372.83095 180.0
[M+Na]+ 394.81289 192.7
[M-H]- 370.81639 178.8
[M+NH4]+ 389.85749 194.3
[M+K]+ 410.78683 188.2
[M+H-H2O]+ 354.82093 177.3
[M+HCOO]- 416.82187 171.9
[M+CH3COO]- 430.83752 187.8
[M+Na-2H]- 392.79834 177.9
[M]+ 371.82312 182.4
[M]- 371.82422 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.