CID 109255

Hexachlorocyclopentane

Structural Information

Molecular Formula
C5H4Cl6
SMILES
C1C(C(C(C1(Cl)Cl)Cl)(Cl)Cl)Cl
InChI
InChI=1S/C5H4Cl6/c6-2-1-4(8,9)3(7)5(2,10)11/h2-3H,1H2
InChIKey
RPUFWOAXMFQSDJ-UHFFFAOYSA-N
Compound name
1,1,2,3,3,4-hexachlorocyclopentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

43
Patents

273.84442 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.851696 155.0
[M+Na]+ 296.833638 163.3
[M-H]- 272.837144 151.2
[M+NH4]+ 291.878243 173.7
[M+K]+ 312.807578 158.4
[M+H-H2O]+ 256.841680 154.4
[M+HCOO]- 318.842621 146.6
[M+CH3COO]- 332.858271 162.6
[M+Na-2H]- 294.819086 153.1
[M]+ 273.84387142 148.7
[M]- 273.84496858 148.7
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