PubChemLite - 101896-21-3 (C19H24F19N2O8P)

Structural Information

Molecular Formula

SMILES

C(COP(=O)(ON(CCO)CCO)ON(CCO)CCO)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C19H24F19N2O8P/c20-11(21,1-10-46-49(45,47-39(2-6-41)3-7-42)48-40(4-8-43)5-9-44)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)38/h41-44H,1-10H2

InChIKey

UQHBROJZQLWASU-UHFFFAOYSA-N

Compound name

bis[bis(2-hydroxyethyl)amino] 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl phosphate

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]+	801.10398	220.8
[M+Na]+	823.08592	221.6
[M-H]-	799.08942	235.4
[M+NH4]+	818.13052	232.7
[M+K]+	839.05986	232.9
[M+H-H2O]+	783.09396	200.0
[M+HCOO]-	845.09490	229.1
[M+CH3COO]-	859.11055	278.8
[M+Na-2H]-	821.07137	212.6
[M]+	800.09615	216.5
[M]-	800.09725	216.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

801.10398

220.8

[M+Na]+

823.08592

221.6

[M-H]-

799.08942

235.4

[M+NH4]+

818.13052

232.7

[M+K]+

839.05986

232.9

[M+H-H2O]+

783.09396

200.0

[M+HCOO]-

845.09490

229.1

[M+CH3COO]-

859.11055

278.8

[M+Na-2H]-

821.07137

212.6

[M]+

800.09615

216.5

[M]-

800.09725

216.5

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

101896-21-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe