CID 315608

6007-85-8

Structural Information

Molecular Formula
C6H2O3S
SMILES
C1=C2C(=CS1)C(=O)OC2=O
InChI
InChI=1S/C6H2O3S/c7-5-3-1-10-2-4(3)6(8)9-5/h1-2H
InChIKey
XQTUSPVIMZCNPC-UHFFFAOYSA-N
Compound name
thieno[3,4-c]furan-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

213
Patents

153.97246 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.97974 125.9
[M+Na]+ 176.96168 137.8
[M-H]- 152.96518 132.6
[M+NH4]+ 172.00628 151.4
[M+K]+ 192.93562 137.4
[M+H-H2O]+ 136.96972 123.2
[M+HCOO]- 198.97066 146.7
[M+CH3COO]- 212.98631 171.0
[M+Na-2H]- 174.94713 129.6
[M]+ 153.97191 130.6
[M]- 153.97301 130.6
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