CID 91661

Alpha-chlordene

Structural Information

Molecular Formula
C10H6Cl6
SMILES
C1[C@H]2[C@H]3[C@H]([C@H]1Cl)C(=C([C@]2(C(=C3Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H6Cl6/c11-3-1-2-4-5(3)7(13)9(15)10(2,16)8(14)6(4)12/h2-5H,1H2/t2-,3-,4-,5-,10-/m0/s1
InChIKey
GSNLXLNDMLYEEK-CWOZVJDESA-N
Compound name
(1R,4S,7S,8S,10S)-2,3,4,5,6,10-hexachlorotricyclo[5.3.0.04,8]deca-2,5-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

335.86008 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.86736 170.6
[M+Na]+ 358.84930 182.9
[M+NH4]+ 353.89390 180.0
[M+K]+ 374.82324 175.0
[M-H]- 334.85280 170.6
[M+Na-2H]- 356.83475 172.9
[M]+ 335.85953 173.8
[M]- 335.86063 173.8
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

patents stripe