CID 204575

16627-04-6

Structural Information

Molecular Formula
C8H5Cl5O2S2
SMILES
C1=CC(=CC=C1SCl)S(=O)(=O)C(C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C8H5Cl5O2S2/c9-7(8(10,11)12)17(14,15)6-3-1-5(16-13)2-4-6/h1-4,7H
InChIKey
LSTSJSZHVSAISQ-UHFFFAOYSA-N
Compound name
[4-(1,2,2,2-tetrachloroethylsulfonyl)phenyl] thiohypochlorite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.81735 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.82463 168.1
[M+Na]+ 394.80657 175.2
[M-H]- 370.81007 168.6
[M+NH4]+ 389.85117 181.2
[M+K]+ 410.78051 170.1
[M+H-H2O]+ 354.81461 167.1
[M+HCOO]- 416.81555 154.6
[M+CH3COO]- 430.83120 206.5
[M+Na-2H]- 392.79202 166.6
[M]+ 371.81680 169.5
[M]- 371.81790 169.5
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.