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 181.5
[M+Na]+ 358.84930 191.6
[M-H]- 334.85280 178.1
[M+NH4]+ 353.89390 200.5
[M+K]+ 374.82324 185.4
[M+H-H2O]+ 318.85734 179.5
[M+HCOO]- 380.85828 170.9
[M+CH3COO]- 394.87393 188.1
[M+Na-2H]- 356.83475 175.9
[M]+ 335.85953 178.2
[M]- 335.86063 178.2
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