CID 19519

Chlordene

Structural Information

Molecular Formula
C10H6Cl6
SMILES
C1C=CC2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H6Cl6/c11-6-7(12)9(14)5-3-1-2-4(5)8(6,13)10(9,15)16/h1-2,4-5H,3H2
InChIKey
XCJXQCUJXDUNDN-UHFFFAOYSA-N
Compound name
1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-3,8-diene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

7
References

1870
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 181.8
[M+Na]+ 358.84930 193.0
[M-H]- 334.85280 179.0
[M+NH4]+ 353.89390 204.9
[M+K]+ 374.82324 185.4
[M+H-H2O]+ 318.85734 180.1
[M+HCOO]- 380.85828 173.0
[M+CH3COO]- 394.87393 188.8
[M+Na-2H]- 356.83475 178.1
[M]+ 335.85953 178.7
[M]- 335.86063 178.7
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