PubChemLite - Bis[n-methyl(perfluorobutyl)sulfonamidoethyl]phosphoric acid (C14H15F18N2O8PS2)

Structural Information

Molecular Formula

SMILES

CN(CCOP(=O)(O)OCCN(C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C14H15F18N2O8PS2/c1-33(44(37,38)13(29,30)9(19,20)7(15,16)11(23,24)25)3-5-41-43(35,36)42-6-4-34(2)45(39,40)14(31,32)10(21,22)8(17,18)12(26,27)28/h3-6H2,1-2H3,(H,35,36)

InChIKey

WAMDJIYFKLYZRR-UHFFFAOYSA-N

Compound name

bis[2-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)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]+	776.97928	223.2
[M+Na]+	798.96122	225.3
[M-H]-	774.96472	238.8
[M+NH4]+	794.00582	240.5
[M+K]+	814.93516	236.4
[M+H-H2O]+	758.96926	204.6
[M+HCOO]-	820.97020	237.2
[M+CH3COO]-	834.98585	271.7
[M+Na-2H]-	796.94667	217.4
[M]+	775.97145	226.5
[M]-	775.97255	226.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

776.97928

223.2

[M+Na]+

798.96122

225.3

[M-H]-

774.96472

238.8

[M+NH4]+

794.00582

240.5

[M+K]+

814.93516

236.4

[M+H-H2O]+

758.96926

204.6

[M+HCOO]-

820.97020

237.2

[M+CH3COO]-

834.98585

271.7

[M+Na-2H]-

796.94667

217.4

[M]+

775.97145

226.5

[M]-

775.97255

226.5

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

Bis[n-methyl(perfluorobutyl)sulfonamidoethyl]phosphoric acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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