CID 20805

4681-36-1

Structural Information

Molecular Formula
C14H20FO4PS2
SMILES
CCOP(=S)(OCC)SC(C1=CC=CC=C1)C(=O)OCCF
InChI
InChI=1S/C14H20FO4PS2/c1-3-18-20(21,19-4-2)22-13(14(16)17-11-10-15)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKey
IKSBWMCKMIWLDZ-UHFFFAOYSA-N
Compound name
2-fluoroethyl 2-diethoxyphosphinothioylsulfanyl-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.05246 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.05974 177.2
[M+Na]+ 389.04168 183.8
[M+NH4]+ 384.08628 182.3
[M+K]+ 405.01562 176.2
[M-H]- 365.04518 175.1
[M+Na-2H]- 387.02713 178.9
[M]+ 366.05191 178.1
[M]- 366.05301 178.1
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.