PubChemLite - 12:2 fluorotelomer sulfonamido propyl dimethyl amine (C19H17F25N2O2S)

Structural Information

Molecular Formula

SMILES

CN(C)CCCNS(=O)(=O)CCC(C(C(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)(F)F)(F)F

InChI

InChI=1S/C19H17F25N2O2S/c1-46(2)6-3-5-45-49(47,48)7-4-8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)16(36,37)17(38,39)18(40,41)19(42,43)44/h45H,3-7H2,1-2H3

InChIKey

ZOZIPMFPEUHGBZ-UHFFFAOYSA-N

Compound name

N-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecane-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]+	813.06844	219.6
[M+Na]+	835.05038	223.1
[M-H]-	811.05388	232.9
[M+NH4]+	830.09498	233.0
[M+K]+	851.02432	238.3
[M+H-H2O]+	795.05842	205.0
[M+HCOO]-	857.05936	233.4
[M+CH3COO]-	871.07501	278.4
[M+Na-2H]-	833.03583	218.8
[M]+	812.06061	218.2
[M]-	812.06171	218.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

813.06844

219.6

[M+Na]+

835.05038

223.1

[M-H]-

811.05388

232.9

[M+NH4]+

830.09498

233.0

[M+K]+

851.02432

238.3

[M+H-H2O]+

795.05842

205.0

[M+HCOO]-

857.05936

233.4

[M+CH3COO]-

871.07501

278.4

[M+Na-2H]-

833.03583

218.8

[M]+

812.06061

218.2

[M]-

812.06171

218.2

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

12:2 fluorotelomer sulfonamido propyl dimethyl amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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