CID 6214

Hexachloroethane

Structural Information

Molecular Formula
C2Cl6
SMILES
C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl
InChI
InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8
InChIKey
VHHHONWQHHHLTI-UHFFFAOYSA-N
Compound name
1,1,1,2,2,2-hexachloroethane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

141
References

24687
Patents

233.81311 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.820386 150.1
[M+Na]+ 256.802328 157.1
[M-H]- 232.805834 144.0
[M+NH4]+ 251.846933 165.5
[M+K]+ 272.776268 153.3
[M+H-H2O]+ 216.810370 149.1
[M+HCOO]- 278.811311 140.2
[M+CH3COO]- 292.826961 192.4
[M+Na-2H]- 254.787776 151.3
[M]+ 233.81256142 144.6
[M]- 233.81365858 144.6
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