10:2 fluorotelomer thioether amido sulfonic acid (C19H18F21NO4S2)

Structural Information

Molecular Formula

SMILES

CC(C)(CS(=O)(=O)O)NC(=O)CCSCCC(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)(F)F

InChI

InChI=1S/C19H18F21NO4S2/c1-9(2,7-47(43,44)45)41-8(42)3-5-46-6-4-10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)40/h3-7H2,1-2H3,(H,41,42)(H,43,44,45)

InChIKey

VSQYJKSCQUHLGK-UHFFFAOYSA-N

Compound name

2-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)propanoylamino]-2-methylpropane-1-sulfonic acid

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]+	788.041476	219.9
[M+Na]+	810.023418	219.8
[M-H]-	786.026924	229.3
[M+NH4]+	805.068023	231.0
[M+K]+	825.997358	235.3
[M+H-H2O]+	770.031460	204.1
[M+HCOO]-	832.032401	232.5
[M+CH3COO]-	846.048051	270.1
[M+Na-2H]-	808.008866	215.5
[M]+	787.03365142	221.8
[M]-	787.03474858	221.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

788.041476

219.9

[M+Na]+

810.023418

219.8

[M-H]-

786.026924

229.3

[M+NH4]+

805.068023

231.0

[M+K]+

825.997358

235.3

[M+H-H2O]+

770.031460

204.1

[M+HCOO]-

832.032401

232.5

[M+CH3COO]-

846.048051

270.1

[M+Na-2H]-

808.008866

215.5

[M]+

787.03365142

221.8

[M]-

787.03474858

221.8

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

10:2 fluorotelomer thioether amido sulfonic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe