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 178.1
[M+Na]+ 389.04168 182.1
[M-H]- 365.04518 177.8
[M+NH4]+ 384.08628 191.1
[M+K]+ 405.01562 178.4
[M+H-H2O]+ 349.04972 167.3
[M+HCOO]- 411.05066 192.5
[M+CH3COO]- 425.06631 211.5
[M+Na-2H]- 387.02713 174.3
[M]+ 366.05191 184.6
[M]- 366.05301 184.6
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.