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

15096
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

literature stripe

Patent stripe

patents stripe