CID 59535432

4h,6h,7h-thieno[3,2-c]pyran-4,6-dione

Structural Information

Molecular Formula
C7H4O3S
SMILES
C1C2=C(C=CS2)C(=O)OC1=O
InChI
InChI=1S/C7H4O3S/c8-6-3-5-4(1-2-11-5)7(9)10-6/h1-2H,3H2
InChIKey
WRNGVVSWLBTGHT-UHFFFAOYSA-N
Compound name
7H-thieno[3,2-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]+ 168.99539 128.1
[M+Na]+ 190.97733 138.5
[M-H]- 166.98083 134.2
[M+NH4]+ 186.02193 151.1
[M+K]+ 206.95127 137.6
[M+H-H2O]+ 150.98537 124.3
[M+HCOO]- 212.98631 146.4
[M+CH3COO]- 227.00196 173.9
[M+Na-2H]- 188.96278 132.9
[M]+ 167.98756 130.9
[M]- 167.98866 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