CID 11954021

Chloordaan

Structural Information

Molecular Formula
C10H6Cl8
SMILES
C1C2C(C(C1Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2?,3?,4?,5?,8-,9+/m0/s1
InChIKey
BIWJNBZANLAXMG-YQELWRJZSA-N
Compound name
(1R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1280
References

23704
Patents

405.79776 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.80504 188.8
[M+Na]+ 428.78698 196.8
[M+NH4]+ 423.83158 196.4
[M+K]+ 444.76092 189.0
[M-H]- 404.79048 186.6
[M+Na-2H]- 426.77243 189.5
[M]+ 405.79721 190.7
[M]- 405.79831 190.7
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