CID 3064788

105770-00-1

Structural Information

Molecular Formula
C8H8O3S2
SMILES
CCOC(=S)SC(=O)C1=CC=CO1
InChI
InChI=1S/C8H8O3S2/c1-2-10-8(12)13-7(9)6-4-3-5-11-6/h3-5H,2H2,1H3
InChIKey
MGEZTQPUDXHPFB-UHFFFAOYSA-N
Compound name
O-ethyl furan-2-carbonylsulfanylmethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.99149 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.99877 145.8
[M+Na]+ 238.98071 154.2
[M-H]- 214.98421 150.4
[M+NH4]+ 234.02531 165.7
[M+K]+ 254.95465 152.6
[M+H-H2O]+ 198.98875 140.8
[M+HCOO]- 260.98969 158.8
[M+CH3COO]- 275.00534 181.1
[M+Na-2H]- 236.96616 145.3
[M]+ 215.99094 151.1
[M]- 215.99204 151.1
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.