PubChemLite - 10:2 fluorotelomer sulfonamido n,n-dimethyl amine (C17H17F21N2O2S)

Structural Information

Molecular Formula

SMILES

CN(C)CCCNS(=O)(=O)CCC(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/C17H17F21N2O2S/c1-40(2)6-3-5-39-43(41,42)7-4-8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)17(36,37)38/h39H,3-7H2,1-2H3

InChIKey

XNVZJXUQXYVJRM-UHFFFAOYSA-N

Compound name

N-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecane-1-sulfonamide

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]+	713.07485	206.8
[M+Na]+	735.05679	211.5
[M-H]-	711.06029	218.7
[M+NH4]+	730.10139	219.5
[M+K]+	751.03073	224.5
[M+H-H2O]+	695.06483	192.9
[M+HCOO]-	757.06577	221.7
[M+CH3COO]-	771.08142	270.2
[M+Na-2H]-	733.04224	205.0
[M]+	712.06702	205.4
[M]-	712.06812	205.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

713.07485

206.8

[M+Na]+

735.05679

211.5

[M-H]-

711.06029

218.7

[M+NH4]+

730.10139

219.5

[M+K]+

751.03073

224.5

[M+H-H2O]+

695.06483

192.9

[M+HCOO]-

757.06577

221.7

[M+CH3COO]-

771.08142

270.2

[M+Na-2H]-

733.04224

205.0

[M]+

712.06702

205.4

[M]-

712.06812

205.4

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

10:2 fluorotelomer sulfonamido n,n-dimethyl amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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