CID 121245

Phosphorothioic acid, o-(2-(bis(2-fluoroethyl)amino)ethyl) o,o-diethyl ester

Structural Information

Molecular Formula
C10H22F2NO3PS
SMILES
CCOP(=S)(OCC)OCCN(CCF)CCF
InChI
InChI=1S/C10H22F2NO3PS/c1-3-14-17(18,15-4-2)16-10-9-13(7-5-11)8-6-12/h3-10H2,1-2H3
InChIKey
KUCQHBKHRLAPQP-UHFFFAOYSA-N
Compound name
2-diethoxyphosphinothioyloxy-N,N-bis(2-fluoroethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1026 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10988 168.1
[M+Na]+ 328.09182 172.5
[M+NH4]+ 323.13642 172.2
[M+K]+ 344.06576 166.7
[M-H]- 304.09532 163.2
[M+Na-2H]- 326.07727 167.3
[M]+ 305.10205 167.2
[M]- 305.10315 167.2
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.