CID 91663

Gamma-chlordene

Structural Information

Molecular Formula
C10H6Cl6
SMILES
C1[C@H]2[C@H]([C@H]3[C@@H]1[C@@](C(=C2Cl)Cl)(C(=C3Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H6Cl6/c11-5-2-1-3-4(5)7(13)9(15)10(3,16)8(14)6(2)12/h2-5H,1H2/t2-,3+,4+,5+,10+/m0/s1
InChIKey
SVGYVZYRIHEIML-VDNDHTCPSA-N
Compound name
(1S,4R,7R,8R,10R)-2,3,4,5,6,10-hexachlorotricyclo[5.2.1.04,8]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 182.5
[M+Na]+ 358.84930 192.8
[M-H]- 334.85280 178.4
[M+NH4]+ 353.89390 202.0
[M+K]+ 374.82324 186.5
[M+H-H2O]+ 318.85734 181.0
[M+HCOO]- 380.85828 171.4
[M+CH3COO]- 394.87393 189.0
[M+Na-2H]- 356.83475 177.4
[M]+ 335.85953 179.8
[M]- 335.86063 179.8
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