CID 3077213

(2-(f-hexyl)ethyl) dimorpholinophosphoramidate

Structural Information

Molecular Formula
C16H20F13N2O4P
SMILES
C1COCCN1P(=O)(N2CCOCC2)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H20F13N2O4P/c17-11(18,12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29)1-6-35-36(32,30-2-7-33-8-3-30)31-4-9-34-10-5-31/h1-10H2
InChIKey
MYWNYBRHKQPGRM-UHFFFAOYSA-N
Compound name
4-[morpholin-4-yl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)phosphoryl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

582.09534 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.10262 227.9
[M+Na]+ 605.08456 230.7
[M-H]- 581.08806 215.2
[M+NH4]+ 600.12916 225.7
[M+K]+ 621.05850 229.6
[M+H-H2O]+ 565.09260 208.6
[M+HCOO]- 627.09354 220.6
[M+CH3COO]- 641.10919 247.6
[M+Na-2H]- 603.07001 229.6
[M]+ 582.09479 206.3
[M]- 582.09589 206.3
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

patents stripe