CID 6419

Pentachloroethane

Structural Information

Molecular Formula
C2HCl5
SMILES
C(C(Cl)(Cl)Cl)(Cl)Cl
InChI
InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H
InChIKey
BNIXVQGCZULYKV-UHFFFAOYSA-N
Compound name
1,1,1,2,2-pentachloroethane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

41
References

18405
Patents

199.8521 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.85938 135.8
[M+Na]+ 222.84132 143.9
[M-H]- 198.84482 131.6
[M+NH4]+ 217.88592 154.1
[M+K]+ 238.81526 139.8
[M+H-H2O]+ 182.84936 135.3
[M+HCOO]- 244.85030 132.0
[M+CH3COO]- 258.86595 185.1
[M+Na-2H]- 220.82677 138.3
[M]+ 199.85155 133.3
[M]- 199.85265 133.3
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.