Pfldca n=13 (C15H2F26O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C15H2F26O4/c16-3(17,1(42)43)5(20,21)7(24,25)9(28,29)11(32,33)13(36,37)15(40,41)14(38,39)12(34,35)10(30,31)8(26,27)6(22,23)4(18,19)2(44)45/h(H,42,43)(H,44,45)

InChIKey

XOLPMAUNTYNKPF-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-hexacosafluoropentadecanedioic 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]+	740.961076	203.0
[M+Na]+	762.943018	205.0
[M-H]-	738.946524	217.6
[M+NH4]+	757.987623	215.8
[M+K]+	778.916958	219.8
[M+H-H2O]+	722.951060	188.8
[M+HCOO]-	784.952001	216.1
[M+CH3COO]-	798.967651	262.6
[M+Na-2H]-	760.928466	203.6
[M]+	739.95325142	201.2
[M]-	739.95434858	201.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

740.961076

203.0

[M+Na]+

762.943018

205.0

[M-H]-

738.946524

217.6

[M+NH4]+

757.987623

215.8

[M+K]+

778.916958

219.8

[M+H-H2O]+

722.951060

188.8

[M+HCOO]-

784.952001

216.1

[M+CH3COO]-

798.967651

262.6

[M+Na-2H]-

760.928466

203.6

[M]+

739.95325142

201.2

[M]-

739.95434858

201.2

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

Pfldca n=13

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe