PubChemLite - Perfluorotetradecanedioic acid (C14H2F24O4)

Structural Information

Molecular Formula

SMILES

C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

InChI

InChI=1S/C14H2F24O4/c15-3(16,1(39)40)5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)14(37,38)12(33,34)10(29,30)8(25,26)6(21,22)4(17,18)2(41)42/h(H,39,40)(H,41,42)

InChIKey

UKSIVJMJWXWJRY-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotetradecanedioic 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]+	690.96428	194.4
[M+Na]+	712.94622	196.8
[M-H]-	688.94972	208.4
[M+NH4]+	707.99082	206.9
[M+K]+	728.92016	210.7
[M+H-H2O]+	672.95426	180.4
[M+HCOO]-	734.95520	208.0
[M+CH3COO]-	748.97085	257.8
[M+Na-2H]-	710.93167	194.7
[M]+	689.95645	192.6
[M]-	689.95755	192.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

690.96428

194.4

[M+Na]+

712.94622

196.8

[M-H]-

688.94972

208.4

[M+NH4]+

707.99082

206.9

[M+K]+

728.92016

210.7

[M+H-H2O]+

672.95426

180.4

[M+HCOO]-

734.95520

208.0

[M+CH3COO]-

748.97085

257.8

[M+Na-2H]-

710.93167

194.7

[M]+

689.95645

192.6

[M]-

689.95755

192.6

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

Perfluorotetradecanedioic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe