CID 557083

Photodieldrin

Structural Information

Molecular Formula
C12H8Cl6O
SMILES
C12C3C(C4C1C5(C(C3(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6C2O6
InChI
InChI=1S/C12H8Cl6O/c13-8-9(14)3-1-4-5(2(3)7-6(1)19-7)11(9,16)12(17,18)10(4,8)15/h1-8H
InChIKey
LOVDWMTZZYUFMA-UHFFFAOYSA-N
Compound name
3,4,5,6,6,7-hexachloro-12-oxahexacyclo[6.5.0.02,10.03,7.05,9.011,13]tridecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

4
Patents

377.87064 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.87792 188.5
[M+Na]+ 400.85986 199.3
[M-H]- 376.86336 186.0
[M+NH4]+ 395.90446 209.7
[M+K]+ 416.83380 192.2
[M+H-H2O]+ 360.86790 188.0
[M+HCOO]- 422.86884 173.6
[M+CH3COO]- 436.88449 193.7
[M+Na-2H]- 398.84531 182.6
[M]+ 377.87009 190.0
[M]- 377.87119 190.0
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