PubChemLite - 67939-92-8 (C20H19F26N2O8PS2)

Structural Information

Molecular Formula

SMILES

CCN(CCOP(=O)(O)OCCN(CC)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C20H19F26N2O8PS2/c1-3-47(58(51,52)19(43,44)15(33,34)11(25,26)9(21,22)13(29,30)17(37,38)39)5-7-55-57(49,50)56-8-6-48(4-2)59(53,54)20(45,46)16(35,36)12(27,28)10(23,24)14(31,32)18(40,41)42/h3-8H2,1-2H3,(H,49,50)

InChIKey

UKMBKFIROBWXCF-UHFFFAOYSA-N

Compound name

bis[2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]ethyl] hydrogen 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]+	1004.9978	262.1
[M+Na]+	1026.9798	262.3
[M-H]-	1002.9833	279.0
[M+NH4]+	1022.0244	279.4
[M+K]+	1042.9537	278.0
[M+H-H2O]+	986.98780	243.0
[M+HCOO]-	1048.9887	272.8
[M+CH3COO]-	1063.0044	288.2
[M+Na-2H]-	1024.9652	257.3
[M]+	1003.9900	265.8
[M]-	1003.9911	265.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1004.9978

262.1

[M+Na]+

1026.9798

262.3

[M-H]-

1002.9833

279.0

[M+NH4]+

1022.0244

279.4

[M+K]+

1042.9537

278.0

[M+H-H2O]+

986.98780

243.0

[M+HCOO]-

1048.9887

272.8

[M+CH3COO]-

1063.0044

288.2

[M+Na-2H]-

1024.9652

257.3

[M]+

1003.9900

265.8

[M]-

1003.9911

265.8

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

67939-92-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe