Hpfldca n=11 (C14H3F23O4)

Structural Information

Molecular Formula

SMILES

C(C(=O)O)(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

InChI

InChI=1S/C14H3F23O4/c15-1(2(38)39)4(16,17)6(20,21)8(24,25)10(28,29)12(32,33)14(36,37)13(34,35)11(30,31)9(26,27)7(22,23)5(18,19)3(40)41/h1H,(H,38,39)(H,40,41)

InChIKey

BJLZQHVYBLNTGP-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-tricosafluorotetradecanedioic 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]+	672.973706	194.1
[M+Na]+	694.955648	197.1
[M-H]-	670.959154	208.0
[M+NH4]+	690.000253	207.0
[M+K]+	710.929588	210.5
[M+H-H2O]+	654.963690	181.0
[M+HCOO]-	716.964631	205.8
[M+CH3COO]-	730.980281	256.5
[M+Na-2H]-	692.941096	193.9
[M]+	671.96588142	191.5
[M]-	671.96697858	191.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

672.973706

194.1

[M+Na]+

694.955648

197.1

[M-H]-

670.959154

208.0

[M+NH4]+

690.000253

207.0

[M+K]+

710.929588

210.5

[M+H-H2O]+

654.963690

181.0

[M+HCOO]-

716.964631

205.8

[M+CH3COO]-

730.980281

256.5

[M+Na-2H]-

692.941096

193.9

[M]+

671.96588142

191.5

[M]-

671.96697858

191.5

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

Hpfldca n=11

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe