PubChemLite - 11-(perfluorooctyl)undecyl dimorpholinophosphinate (C27H38F17N2O4P)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	809.23708	225.5
[M+Na]+	831.21902	234.5
[M-H]-	807.22252	233.9
[M+NH4]+	826.26362	239.8
[M+K]+	847.19296	241.2
[M+H-H2O]+	791.22706	214.0
[M+HCOO]-	853.22800	258.1
[M+CH3COO]-	867.24365	282.9
[M+Na-2H]-	829.20447	218.6
[M]+	808.22925	226.3
[M]-	808.23035	226.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

809.23708

225.5

[M+Na]+

831.21902

234.5

[M-H]-

807.22252

233.9

[M+NH4]+

826.26362

239.8

[M+K]+

847.19296

241.2

[M+H-H2O]+

791.22706

214.0

[M+HCOO]-

853.22800

258.1

[M+CH3COO]-

867.24365

282.9

[M+Na-2H]-

829.20447

218.6

[M]+

808.22925

226.3

[M]-

808.23035

226.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

11-(perfluorooctyl)undecyl dimorpholinophosphinate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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