8:2 fluorotelomer sulfoxide amido sulfonic acid (C17H18F17NO5S2)

Structural Information

Molecular Formula

SMILES

CC(C)(CS(=O)(=O)O)NC(=O)CCS(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C17H18F17NO5S2/c1-9(2,7-42(38,39)40)35-8(36)3-5-41(37)6-4-10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h3-7H2,1-2H3,(H,35,36)(H,38,39,40)

InChIKey

XKGMPVQXAFQLEK-UHFFFAOYSA-N

Compound name

2-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfinyl)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]+	704.042776	209.4
[M+Na]+	726.024718	210.6
[M-H]-	702.028224	218.9
[M+NH4]+	721.069323	221.1
[M+K]+	741.998658	223.4
[M+H-H2O]+	686.032760	195.3
[M+HCOO]-	748.033701	221.3
[M+CH3COO]-	762.049351	260.6
[M+Na-2H]-	724.010166	204.3
[M]+	703.03495142	211.4
[M]-	703.03604858	211.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

704.042776

209.4

[M+Na]+

726.024718

210.6

[M-H]-

702.028224

218.9

[M+NH4]+

721.069323

221.1

[M+K]+

741.998658

223.4

[M+H-H2O]+

686.032760

195.3

[M+HCOO]-

748.033701

221.3

[M+CH3COO]-

762.049351

260.6

[M+Na-2H]-

724.010166

204.3

[M]+

703.03495142

211.4

[M]-

703.03604858

211.4

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

8:2 fluorotelomer sulfoxide amido sulfonic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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