CID 62060

Endrin ketone

Structural Information

Molecular Formula
C12H8Cl6O
SMILES
C1C2C3C4C1C(=O)C2C5(C3(C(C4(C5Cl)Cl)(Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H8Cl6O/c13-8-9(14)6-2-1-3(7(6)19)4-5(2)11(9,16)12(17,18)10(4,8)15/h2-6,8H,1H2
InChIKey
IZHZFAQWVKBTSL-UHFFFAOYSA-N
Compound name
1,2,2,3,10,11-hexachloropentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

91
Patents

377.87064 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.87792 166.8
[M+Na]+ 400.85986 174.5
[M+NH4]+ 395.90446 178.5
[M+K]+ 416.83380 168.8
[M-H]- 376.86336 164.3
[M+Na-2H]- 398.84531 166.6
[M]+ 377.87009 168.6
[M]- 377.87119 168.6
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