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
1
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]+ 274.85170 155.0
[M+Na]+ 296.83364 163.3
[M-H]- 272.83714 151.2
[M+NH4]+ 291.87824 173.7
[M+K]+ 312.80758 158.4
[M+H-H2O]+ 256.84168 154.4
[M+HCOO]- 318.84262 146.6
[M+CH3COO]- 332.85827 162.6
[M+Na-2H]- 294.81909 153.1
[M]+ 273.84387 148.7
[M]- 273.84497 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