CID 97914

6953-60-2

Structural Information

Molecular Formula
C6H6O4S
SMILES
CC(=O)SC1CC(=O)OC1=O
InChI
InChI=1S/C6H6O4S/c1-3(7)11-4-2-5(8)10-6(4)9/h4H,2H2,1H3
InChIKey
AHTFMWCHTGEJHA-UHFFFAOYSA-N
Compound name
S-(2,5-dioxooxolan-3-yl) ethanethioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

3203
Patents

173.99867 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.00595 132.2
[M+Na]+ 196.98789 141.3
[M-H]- 172.99139 137.2
[M+NH4]+ 192.03249 153.7
[M+K]+ 212.96183 141.4
[M+H-H2O]+ 156.99593 128.1
[M+HCOO]- 218.99687 149.9
[M+CH3COO]- 233.01252 174.9
[M+Na-2H]- 194.97334 133.3
[M]+ 173.99812 135.5
[M]- 173.99922 135.5
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.