CID 21718668

64810-01-1

Structural Information

Molecular Formula
C5H4O3S
SMILES
CSC1=CC(=O)OC1=O
InChI
InChI=1S/C5H4O3S/c1-9-3-2-4(6)8-5(3)7/h2H,1H3
InChIKey
ZXSUNPYBGKFGSY-UHFFFAOYSA-N
Compound name
3-methylsulfanylfuran-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.98811 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.99539 126.9
[M+Na]+ 166.97733 137.9
[M+NH4]+ 162.02193 135.3
[M+K]+ 182.95127 133.1
[M-H]- 142.98083 128.9
[M+Na-2H]- 164.96278 130.2
[M]+ 143.98756 129.3
[M]- 143.98866 129.3
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

No patent data available for this compound.