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]+ 189.962706 133.9
[M+Na]+ 211.944648 146.9
[M-H]- 187.948154 137.1
[M+NH4]+ 206.989253 159.2
[M+K]+ 227.918588 143.2
[M+H-H2O]+ 171.952690 131.5
[M+HCOO]- 233.953631 147.5
[M+CH3COO]- 247.969281 148.4
[M+Na-2H]- 209.930096 136.2
[M]+ 188.95488142 137.4
[M]- 188.95597858 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

literature stripe

Patent stripe

patents stripe