PubChemLite - 2-hydrido-perfluorotetradecanoic acid (C14H2F26O2)

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)F

InChI

InChI=1S/C14H2F26O2/c15-1(2(41)42)3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)14(38,39)40/h1H,(H,41,42)

InChIKey

KEIGBWNCTJAAPQ-UHFFFAOYSA-N

Compound name

2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-hexacosafluorotetradecanoic 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]+	696.97128	197.3
[M+Na]+	718.95322	200.6
[M-H]-	694.95672	209.7
[M+NH4]+	713.99782	209.8
[M+K]+	734.92716	214.8
[M+H-H2O]+	678.96126	184.5
[M+HCOO]-	740.96220	211.2
[M+CH3COO]-	754.97785	260.4
[M+Na-2H]-	716.93867	198.6
[M]+	695.96345	194.4
[M]-	695.96455	194.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

696.97128

197.3

[M+Na]+

718.95322

200.6

[M-H]-

694.95672

209.7

[M+NH4]+

713.99782

209.8

[M+K]+

734.92716

214.8

[M+H-H2O]+

678.96126

184.5

[M+HCOO]-

740.96220

211.2

[M+CH3COO]-

754.97785

260.4

[M+Na-2H]-

716.93867

198.6

[M]+

695.96345

194.4

[M]-

695.96455

194.4

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

2-hydrido-perfluorotetradecanoic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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