CID 3048

Endrin

Structural Information

Molecular Formula
C12H8Cl6O
SMILES
C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2
InChIKey
DFBKLUNHFCTMDC-UHFFFAOYSA-N
Compound name
3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2492
References

22703
Patents

377.87064 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.87792 166.0
[M+Na]+ 400.85986 177.0
[M+NH4]+ 395.90446 177.6
[M+K]+ 416.83380 171.8
[M-H]- 376.86336 170.6
[M+Na-2H]- 398.84531 168.7
[M]+ 377.87009 171.1
[M]- 377.87119 171.1
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