CID 61662

Methyl 2-thiofuroate

Structural Information

Molecular Formula
C6H6O2S
SMILES
CSC(=O)C1=CC=CO1
InChI
InChI=1S/C6H6O2S/c1-9-6(7)5-3-2-4-8-5/h2-4H,1H3
InChIKey
ISKUAGFDTRLBHG-UHFFFAOYSA-N
Compound name
S-methyl furan-2-carbothioate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

117
Patents

142.00885 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.01613 127.3
[M+Na]+ 164.99807 138.4
[M+NH4]+ 160.04267 136.4
[M+K]+ 180.97201 133.2
[M-H]- 141.00157 130.0
[M+Na-2H]- 162.98352 132.0
[M]+ 142.00830 130.0
[M]- 142.00940 130.0
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