12:2 fluorotelomer carboxylic acid (C14H3F25O2)

Structural Information

Molecular Formula

SMILES

C(C(=O)O)C(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/C14H3F25O2/c15-3(16,1-2(40)41)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h1H2,(H,40,41)

InChIKey

DHZIKHSVLXMVQY-UHFFFAOYSA-N

Compound name

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-pentacosafluorotetradecanoic 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]+	678.980676	192.5
[M+Na]+	700.962618	195.7
[M-H]-	676.966124	204.2
[M+NH4]+	696.007223	204.3
[M+K]+	716.936558	209.5
[M+H-H2O]+	660.970660	179.2
[M+HCOO]-	722.971601	208.5
[M+CH3COO]-	736.987251	258.6
[M+Na-2H]-	698.948066	193.5
[M]+	677.97285142	190.4
[M]-	677.97394858	190.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

678.980676

192.5

[M+Na]+

700.962618

195.7

[M-H]-

676.966124

204.2

[M+NH4]+

696.007223

204.3

[M+K]+

716.936558

209.5

[M+H-H2O]+

660.970660

179.2

[M+HCOO]-

722.971601

208.5

[M+CH3COO]-

736.987251

258.6

[M+Na-2H]-

698.948066

193.5

[M]+

677.97285142

190.4

[M]-

677.97394858

190.4

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

12:2 fluorotelomer carboxylic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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