CID 53176

1,2,3,6,8,9-hexachlorodibenzofuran

Structural Information

Molecular Formula
C12H2Cl6O
SMILES
C1=C2C(=C(C(=C1Cl)Cl)Cl)C3=C(O2)C(=CC(=C3Cl)Cl)Cl
InChI
InChI=1S/C12H2Cl6O/c13-3-1-5(15)12-8(9(3)16)7-6(19-12)2-4(14)10(17)11(7)18/h1-2H
InChIKey
WLGQZUOHEXTWFH-UHFFFAOYSA-N
Compound name
1,2,3,6,8,9-hexachlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1
Patents

371.82367 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.83095 183.5
[M+Na]+ 394.81289 199.8
[M+NH4]+ 389.85749 191.8
[M+K]+ 410.78683 190.6
[M-H]- 370.81639 185.9
[M+Na-2H]- 392.79834 187.3
[M]+ 371.82312 188.2
[M]- 371.82422 188.2
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

patents stripe