CID 34276

Syn-12-hydroxydieldrin

Structural Information

Molecular Formula
C12H8Cl6O2
SMILES
C12C3C(C(C1O)C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H8Cl6O2/c13-8-9(14)11(16)4-2-5(19)1(6-7(2)20-6)3(4)10(8,15)12(11,17)18/h1-7,19H
InChIKey
VRHKKHANKOOSAH-UHFFFAOYSA-N
Compound name
3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-en-12-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.86554 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.87282 166.7
[M+Na]+ 416.85476 177.4
[M+NH4]+ 411.89936 177.8
[M+K]+ 432.82870 172.8
[M-H]- 392.85826 170.9
[M+Na-2H]- 414.84021 168.9
[M]+ 393.86499 171.6
[M]- 393.86609 171.6
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.