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
2
Annotation Hits

0
References

5
Patents

335.86008 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.867356 181.5
[M+Na]+ 358.849298 191.6
[M-H]- 334.852804 178.1
[M+NH4]+ 353.893903 200.5
[M+K]+ 374.823238 185.4
[M+H-H2O]+ 318.857340 179.5
[M+HCOO]- 380.858281 170.9
[M+CH3COO]- 394.873931 188.1
[M+Na-2H]- 356.834746 175.9
[M]+ 335.85953142 178.2
[M]- 335.86062858 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