PubChemLite - (11-(f-hexyl)undecyl) dimorpholinophosphoramidate (C25H38F13N2O4P)

Structural Information

Molecular Formula

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

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]+	709.24343	211.4
[M+Na]+	731.22537	222.1
[M-H]-	707.22887	217.0
[M+NH4]+	726.26997	224.0
[M+K]+	747.19931	224.6
[M+H-H2O]+	691.23341	245.4
[M+HCOO]-	753.23435	246.5
[M+CH3COO]-	767.25000	270.7
[M+Na-2H]-	729.21082	264.1
[M]+	708.23560	211.9
[M]-	708.23670	211.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

709.24343

211.4

[M+Na]+

731.22537

222.1

[M-H]-

707.22887

217.0

[M+NH4]+

726.26997

224.0

[M+K]+

747.19931

224.6

[M+H-H2O]+

691.23341

245.4

[M+HCOO]-

753.23435

246.5

[M+CH3COO]-

767.25000

270.7

[M+Na-2H]-

729.21082

264.1

[M]+

708.23560

211.9

[M]-

708.23670

211.9

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

(11-(f-hexyl)undecyl) dimorpholinophosphoramidate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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