CID 77328

3,3,4,4-tetrachlorotetrahydrothiophene 1,1-dioxide

Structural Information

Molecular Formula
C4H4Cl4O2S
SMILES
C1C(C(CS1(=O)=O)(Cl)Cl)(Cl)Cl
InChI
InChI=1S/C4H4Cl4O2S/c5-3(6)1-11(9,10)2-4(3,7)8/h1-2H2
InChIKey
GCAXGCSCRRVVLF-UHFFFAOYSA-N
Compound name
3,3,4,4-tetrachlorothiolane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

365
Patents

255.8686 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.87588 135.9
[M+Na]+ 278.85782 147.3
[M-H]- 254.86132 138.1
[M+NH4]+ 273.90242 160.8
[M+K]+ 294.83176 142.3
[M+H-H2O]+ 238.86586 137.8
[M+HCOO]- 300.86680 135.3
[M+CH3COO]- 314.88245 186.0
[M+Na-2H]- 276.84327 139.1
[M]+ 255.86805 137.9
[M]- 255.86915 137.9
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