CID 33772

Oxychlordane

Structural Information

Molecular Formula
C10H4Cl8O
SMILES
C12C(C(C3(C1O3)Cl)Cl)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H
InChIKey
VWGNQYSIWFHEQU-UHFFFAOYSA-N
Compound name
1,5,6,8,9,10,11,11-octachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

228
References

112
Patents

419.77704 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.78432 181.1
[M+Na]+ 442.76626 190.1
[M+NH4]+ 437.81086 189.6
[M+K]+ 458.74020 183.2
[M-H]- 418.76976 183.5
[M+Na-2H]- 440.75171 183.8
[M]+ 419.77649 185.1
[M]- 419.77759 185.1
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