CID 59535386

57279-38-6

Structural Information

Molecular Formula
C7H4O3S
SMILES
C1C2=CSC=C2C(=O)OC1=O
InChI
InChI=1S/C7H4O3S/c8-6-1-4-2-11-3-5(4)7(9)10-6/h2-3H,1H2
InChIKey
DVJRFNXUPCOKTM-UHFFFAOYSA-N
Compound name
7H-thieno[3,4-c]pyran-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

167.98811 Da
Monoisotopic Mass

0.9
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

No literature data available for this compound.

Patent stripe

patents stripe