CID 414482

Endrin alcohol

Structural Information

Molecular Formula
C12H8Cl6O
SMILES
C1C2C3C4C1C5(C2C6(C3(C(C4(C56Cl)Cl)(Cl)Cl)Cl)Cl)O
InChI
InChI=1S/C12H8Cl6O/c13-8-4-2-1-3-5(4)9(14,12(8,17)18)11(16)7(3,19)6(2)10(8,11)15/h2-6,19H,1H2
InChIKey
FWIOOTDZGJSQMX-UHFFFAOYSA-N
Compound name
1,9,10,11,11,12-hexachlorohexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.87064 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.877916 191.2
[M+Na]+ 400.859858 201.6
[M-H]- 376.863364 188.7
[M+NH4]+ 395.904463 216.6
[M+K]+ 416.833798 191.8
[M+H-H2O]+ 360.867900 190.3
[M+HCOO]- 422.868841 179.5
[M+CH3COO]- 436.884491 196.4
[M+Na-2H]- 398.845306 187.4
[M]+ 377.87009142 200.2
[M]- 377.87118858 200.2
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.