CID 3077215

(11-(f-hexyl)undecyl) dimorpholinophosphoramidate

Structural Information

Molecular Formula
C25H38F13N2O4P
SMILES
C1COCCN1P(=O)(N2CCOCC2)OCCCCCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C25H38F13N2O4P/c26-20(27,21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38)10-8-6-4-2-1-3-5-7-9-15-44-45(41,39-11-16-42-17-12-39)40-13-18-43-19-14-40/h1-19H2
InChIKey
NENILPRVDJSLAG-UHFFFAOYSA-N
Compound name
4-[morpholin-4-yl(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecoxy)phosphoryl]morpholine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

708.23615 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 709.24343 184.7
[M+Na]+ 731.22537 183.8
[M+NH4]+ 726.26997 183.2
[M+K]+ 747.19931 183.2
[M-H]- 707.22887 180.5
[M+Na-2H]- 729.21082 182.8
[M]+ 708.23560 183.2
[M]- 708.23670 183.2
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

patents stripe