CID 121145

Brn 2273853

Structural Information

Molecular Formula
C10H22F2NO2PS2
SMILES
CCOP(=S)(OCC)SCCN(CCF)CCF
InChI
InChI=1S/C10H22F2NO2PS2/c1-3-14-16(17,15-4-2)18-10-9-13(7-5-11)8-6-12/h3-10H2,1-2H3
InChIKey
JKZKRYQYYBFRAC-UHFFFAOYSA-N
Compound name
N-(2-diethoxyphosphinothioylsulfanylethyl)-2-fluoro-N-(2-fluoroethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.07977 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08705 166.1
[M+Na]+ 344.06899 170.2
[M-H]- 320.07249 162.7
[M+NH4]+ 339.11359 181.7
[M+K]+ 360.04293 167.1
[M+H-H2O]+ 304.07703 154.7
[M+HCOO]- 366.07797 181.5
[M+CH3COO]- 380.09362 211.4
[M+Na-2H]- 342.05444 162.2
[M]+ 321.07922 172.2
[M]- 321.08032 172.2
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.