CID 14086550

2h,3h-1lambda6-thieno[2,3-d][1,2]thiazole-1,1,3-trione

Structural Information

Molecular Formula
C5H3NO3S2
SMILES
C1=CSC2=C1S(=O)(=O)NC2=O
InChI
InChI=1S/C5H3NO3S2/c7-5-4-3(1-2-10-4)11(8,9)6-5/h1-2H,(H,6,7)
InChIKey
XVCRMQNYJBQTPD-UHFFFAOYSA-N
Compound name
1,1-dioxothieno[2,3-d][1,2]thiazol-3-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

53
Patents

188.95543 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.96271 133.9
[M+Na]+ 211.94465 146.9
[M-H]- 187.94815 137.1
[M+NH4]+ 206.98925 159.2
[M+K]+ 227.91859 143.2
[M+H-H2O]+ 171.95269 131.5
[M+HCOO]- 233.95363 147.5
[M+CH3COO]- 247.96928 148.4
[M+Na-2H]- 209.93010 136.2
[M]+ 188.95488 137.4
[M]- 188.95598 137.4
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.