10:1 fluorotelomer ether acetate (C13H5F21O3)

Structural Information

Molecular Formula

SMILES

C(C(=O)O)OCC(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/C13H5F21O3/c14-4(15,2-37-1-3(35)36)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h1-2H2,(H,35,36)

InChIKey

YJCULLIVLPEEKZ-UHFFFAOYSA-N

Compound name

2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecoxy)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]+	608.997636	180.6
[M+Na]+	630.979578	184.3
[M-H]-	606.983084	190.8
[M+NH4]+	626.024183	191.8
[M+K]+	646.953518	195.9
[M+H-H2O]+	590.987620	168.3
[M+HCOO]-	652.988561	197.5
[M+CH3COO]-	667.004211	250.4
[M+Na-2H]-	628.965026	180.3
[M]+	607.98981142	178.8
[M]-	607.99090858	178.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

608.997636

180.6

[M+Na]+

630.979578

184.3

[M-H]-

606.983084

190.8

[M+NH4]+

626.024183

191.8

[M+K]+

646.953518

195.9

[M+H-H2O]+

590.987620

168.3

[M+HCOO]-

652.988561

197.5

[M+CH3COO]-

667.004211

250.4

[M+Na-2H]-

628.965026

180.3

[M]+

607.98981142

178.8

[M]-

607.99090858

178.8

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

10:1 fluorotelomer ether acetate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe