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

3264
Patents

173.99867 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.005946 132.2
[M+Na]+ 196.987888 141.3
[M-H]- 172.991394 137.2
[M+NH4]+ 192.032493 153.7
[M+K]+ 212.961828 141.4
[M+H-H2O]+ 156.995930 128.1
[M+HCOO]- 218.996871 149.9
[M+CH3COO]- 233.012521 174.9
[M+Na-2H]- 194.973336 133.3
[M]+ 173.99812142 135.5
[M]- 173.99921858 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

literature stripe

Patent stripe

patents stripe