CID 3077216

11-(perfluorooctyl)undecyl dimorpholinophosphinate

Structural Information

Molecular Formula
C27H38F17N2O4P
SMILES
C1COCCN1P(=O)(N2CCOCC2)OCCCCCCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C27H38F17N2O4P/c28-20(29,21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)26(40,41)27(42,43)44)10-8-6-4-2-1-3-5-7-9-15-50-51(47,45-11-16-48-17-12-45)46-13-18-49-19-14-46/h1-19H2
InChIKey
SIGZHCRJKAFRED-UHFFFAOYSA-N
Compound name
4-[12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecoxy(morpholin-4-yl)phosphoryl]morpholine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

71
Patents

808.2298 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 809.23708 156.5
[M+Na]+ 831.21902 156.6
[M+NH4]+ 826.26362 156.7
[M+K]+ 847.19296 156.7
[M-H]- 807.22252 161.3
[M+Na-2H]- 829.20447 162.9
[M]+ 808.22925 156.6
[M]- 808.23035 156.6
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

patents stripe