11:1 fluorotelomer ether acetate (C14H5F23O3)

Structural Information

Molecular Formula

SMILES

C(C(=O)O)OCC(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

InChI

InChI=1S/C14H5F23O3/c15-4(16,2-40-1-3(38)39)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)13(33,34)14(35,36)37/h1-2H2,(H,38,39)

InChIKey

SLGIZWUGENNDSS-UHFFFAOYSA-N

Compound name

2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecoxy)acetic 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]+	658.994376	188.5
[M+Na]+	680.976318	191.7
[M-H]-	656.979824	199.6
[M+NH4]+	676.020923	200.3
[M+K]+	696.950258	204.6
[M+H-H2O]+	640.984360	175.5
[M+HCOO]-	702.985301	204.8
[M+CH3COO]-	717.000951	256.4
[M+Na-2H]-	678.961766	188.5
[M]+	657.98655142	186.7
[M]-	657.98764858	186.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

658.994376

188.5

[M+Na]+

680.976318

191.7

[M-H]-

656.979824

199.6

[M+NH4]+

676.020923

200.3

[M+K]+

696.950258

204.6

[M+H-H2O]+

640.984360

175.5

[M+HCOO]-

702.985301

204.8

[M+CH3COO]-

717.000951

256.4

[M+Na-2H]-

678.961766

188.5

[M]+

657.98655142

186.7

[M]-

657.98764858

186.7

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

11:1 fluorotelomer ether acetate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe