Clpflcas_i n=13 (C14HClF26O2)

Structural Information

Molecular Formula

SMILES

C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)Cl)(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/C14HClF26O2/c15-14(40,41)13(38,39)12(36,37)11(34,35)10(32,33)9(30,31)8(28,29)7(26,27)6(24,25)5(22,23)4(20,21)3(18,19)2(16,17)1(42)43/h(H,42,43)

InChIKey

CHLPJPFPFIAASS-UHFFFAOYSA-N

Compound name

14-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-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]+	730.932276	196.2
[M+Na]+	752.914218	199.2
[M-H]-	728.917724	209.2
[M+NH4]+	747.958823	208.8
[M+K]+	768.888158	214.0
[M+H-H2O]+	712.922260	182.8
[M+HCOO]-	774.923201	212.1
[M+CH3COO]-	788.938851	262.4
[M+Na-2H]-	750.899666	198.1
[M]+	729.92445142	196.3
[M]-	729.92554858	196.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

730.932276

196.2

[M+Na]+

752.914218

199.2

[M-H]-

728.917724

209.2

[M+NH4]+

747.958823

208.8

[M+K]+

768.888158

214.0

[M+H-H2O]+

712.922260

182.8

[M+HCOO]-

774.923201

212.1

[M+CH3COO]-

788.938851

262.4

[M+Na-2H]-

750.899666

198.1

[M]+

729.92445142

196.3

[M]-

729.92554858

196.3

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

Clpflcas_i n=13

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe