CID 13546406

4h,5h,7h-thieno[2,3-c]pyran-5,7-dione

Structural Information

Molecular Formula
C7H4O3S
SMILES
C1C2=C(C(=O)OC1=O)SC=C2
InChI
InChI=1S/C7H4O3S/c8-5-3-4-1-2-11-6(4)7(9)10-5/h1-2H,3H2
InChIKey
XCJXKLAHBPQLRB-UHFFFAOYSA-N
Compound name
4H-thieno[2,3-c]pyran-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

167.98811 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.995386 128.1
[M+Na]+ 190.977328 138.5
[M-H]- 166.980834 134.2
[M+NH4]+ 186.021933 151.1
[M+K]+ 206.951268 137.6
[M+H-H2O]+ 150.985370 124.3
[M+HCOO]- 212.986311 146.4
[M+CH3COO]- 227.001961 173.9
[M+Na-2H]- 188.962776 132.9
[M]+ 167.98756142 130.9
[M]- 167.98865858 130.9
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

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