CID 43584

Shell 52-rl-71

Structural Information

Molecular Formula
C11H6Cl6O2
SMILES
C12C(C3C4C(C1O3)O4)C5(C(=C(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C11H6Cl6O2/c12-7-8(13)10(15)2-1(9(7,14)11(10,16)17)3-5-6(19-5)4(2)18-3/h1-6H
InChIKey
QIOAVVHEKQUAKW-UHFFFAOYSA-N
Compound name
3,4,5,6,13,13-hexachloro-10,12-dioxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.84988 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.85716 165.0
[M+Na]+ 402.83910 176.1
[M+NH4]+ 397.88370 176.3
[M+K]+ 418.81304 171.6
[M-H]- 378.84260 170.2
[M+Na-2H]- 400.82455 167.4
[M]+ 379.84933 170.3
[M]- 379.85043 170.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.