CID 21118483

Schembl987512

Structural Information

Molecular Formula
C5H4Cl6
SMILES
C1CC(C(C1(Cl)Cl)(Cl)Cl)(Cl)Cl
InChI
InChI=1S/C5H4Cl6/c6-3(7)1-2-4(8,9)5(3,10)11/h1-2H2
InChIKey
BFAFVKWDLHHCOW-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3-hexachlorocyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

273.84442 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.851696 151.0
[M+Na]+ 296.833638 159.3
[M-H]- 272.837144 147.5
[M+NH4]+ 291.878243 171.1
[M+K]+ 312.807578 154.3
[M+H-H2O]+ 256.841680 150.9
[M+HCOO]- 318.842621 143.0
[M+CH3COO]- 332.858271 158.8
[M+Na-2H]- 294.819086 150.9
[M]+ 273.84387142 144.7
[M]- 273.84496858 144.7
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