CID 139596030

Ns00001439

Structural Information

Molecular Formula
C5H2Cl8
SMILES
C1(C(C(C(C1(Cl)Cl)(Cl)Cl)Cl)(Cl)Cl)Cl
InChI
InChI=1S/C5H2Cl8/c6-1-3(8,9)2(7)5(12,13)4(1,10)11/h1-2H
InChIKey
MDNRRDNDZIOCBK-UHFFFAOYSA-N
Compound name
1,1,2,2,3,4,4,5-octachlorocyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.76648 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.773756 174.5
[M+Na]+ 364.755698 179.7
[M-H]- 340.759204 166.2
[M+NH4]+ 359.800303 187.9
[M+K]+ 380.729638 177.2
[M+H-H2O]+ 324.763740 173.8
[M+HCOO]- 386.764681 157.1
[M+CH3COO]- 400.780331 177.0
[M+Na-2H]- 362.741146 168.2
[M]+ 341.76593142 161.8
[M]- 341.76702858 161.8
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

No patent data available for this compound.