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
5
Annotation Hits

0
References

124
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 126.1
[M+Na]+ 164.99807 135.3
[M-H]- 141.00157 131.2
[M+NH4]+ 160.04267 148.9
[M+K]+ 180.97201 135.4
[M+H-H2O]+ 125.00611 121.5
[M+HCOO]- 187.00705 146.0
[M+CH3COO]- 201.02270 169.5
[M+Na-2H]- 162.98352 129.8
[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