CID 14453

1185-09-7

Structural Information

Molecular Formula
C2HCl5S
SMILES
C(C(SCl)(Cl)Cl)(Cl)Cl
InChI
InChI=1S/C2HCl5S/c3-1(4)2(5,6)8-7/h1H
InChIKey
LCVOCDOSGJHZFH-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrachloroethyl thiohypochlorite
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

231.82416 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.83144 140.4
[M+Na]+ 254.81338 147.7
[M-H]- 230.81688 137.1
[M+NH4]+ 249.85798 157.9
[M+K]+ 270.78732 143.7
[M+H-H2O]+ 214.82142 140.2
[M+HCOO]- 276.82236 131.9
[M+CH3COO]- 290.83801 189.0
[M+Na-2H]- 252.79883 139.9
[M]+ 231.82361 139.3
[M]- 231.82471 139.3
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