CID 2770187

Sulfocarbathione

Structural Information

Molecular Formula
C5H9NO2S3
SMILES
C1CS(=O)(=O)CC1NC(=S)S
InChI
InChI=1S/C5H9NO2S3/c7-11(8)2-1-4(3-11)6-5(9)10/h4H,1-3H2,(H2,6,9,10)
InChIKey
UEKOYEYXLALUCZ-UHFFFAOYSA-N
Compound name
(1,1-dioxothiolan-3-yl)carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

14
Patents

210.97954 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.98682 141.0
[M+Na]+ 233.96876 148.8
[M-H]- 209.97226 143.2
[M+NH4]+ 229.01336 162.8
[M+K]+ 249.94270 143.9
[M+H-H2O]+ 193.97680 137.0
[M+HCOO]- 255.97774 147.6
[M+CH3COO]- 269.99339 182.1
[M+Na-2H]- 231.95421 141.1
[M]+ 210.97899 140.0
[M]- 210.98009 140.0
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.