CID 38200

Octachlorodibenzofuran

Structural Information

Molecular Formula
C12Cl8O
SMILES
C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl
InChI
InChI=1S/C12Cl8O/c13-3-1-2-4(14)6(16)8(18)10(20)12(2)21-11(1)9(19)7(17)5(3)15
InChIKey
RHIROFAGUQOFLU-UHFFFAOYSA-N
Compound name
1,2,3,4,6,7,8,9-octachlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

31
References

456
Patents

439.74573 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.75301 201.3
[M+Na]+ 462.73495 210.2
[M-H]- 438.73845 194.7
[M+NH4]+ 457.77955 209.9
[M+K]+ 478.70889 209.1
[M+H-H2O]+ 422.74299 198.1
[M+HCOO]- 484.74393 183.5
[M+CH3COO]- 498.75958 203.7
[M+Na-2H]- 460.72040 193.0
[M]+ 439.74518 196.7
[M]- 439.74628 196.7
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