CID 47084

2-fluoroethyl xanthate

Structural Information

Molecular Formula
C5H9FOS2
SMILES
CCSC(=S)OCCF
InChI
InChI=1S/C5H9FOS2/c1-2-9-5(8)7-4-3-6/h2-4H2,1H3
InChIKey
QVBVFIVWNWMLMP-UHFFFAOYSA-N
Compound name
O-(2-fluoroethyl) ethylsulfanylmethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.00789 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.01517 129.4
[M+Na]+ 190.99711 136.8
[M-H]- 167.00061 128.4
[M+NH4]+ 186.04171 150.5
[M+K]+ 206.97105 134.2
[M+H-H2O]+ 151.00515 123.5
[M+HCOO]- 213.00609 140.3
[M+CH3COO]- 227.02174 176.4
[M+Na-2H]- 188.98256 129.1
[M]+ 168.00734 131.7
[M]- 168.00844 131.7
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.