13:2 fluorotelomer carboxylic acid (C15H3F27O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C15H3F27O2/c16-3(17,1-2(43)44)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)15(40,41)42/h1H2,(H,43,44)

InChIKey

HPGZJVHJJKWFCQ-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptacosafluoropentadecanoic 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]+	728.977476	200.5
[M+Na]+	750.959418	203.2
[M-H]-	726.962924	212.8
[M+NH4]+	746.004023	212.6
[M+K]+	766.933358	217.9
[M+H-H2O]+	710.967460	186.9
[M+HCOO]-	772.968401	215.8
[M+CH3COO]-	786.984051	263.3
[M+Na-2H]-	748.944866	201.9
[M]+	727.96965142	198.2
[M]-	727.97074858	198.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

728.977476

200.5

[M+Na]+

750.959418

203.2

[M-H]-

726.962924

212.8

[M+NH4]+

746.004023

212.6

[M+K]+

766.933358

217.9

[M+H-H2O]+

710.967460

186.9

[M+HCOO]-

772.968401

215.8

[M+CH3COO]-

786.984051

263.3

[M+Na-2H]-

748.944866

201.9

[M]+

727.96965142

198.2

[M]-

727.97074858

198.2

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

13:2 fluorotelomer carboxylic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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