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]+ 168.99539 130.5
[M+Na]+ 190.97733 142.2
[M+NH4]+ 186.02193 139.9
[M+K]+ 206.95127 136.7
[M-H]- 166.98083 133.4
[M+Na-2H]- 188.96278 134.2
[M]+ 167.98756 133.3
[M]- 167.98866 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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