PubChemLite - Perfluoro-2,5,8,11-tetramethyl-3,6,9,12-tetraoxapentadecanoic acid (C15HF29O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C15HF29O6/c16-2(1(45)46,7(22,23)24)47-13(39,40)4(19,9(28,29)30)49-15(43,44)6(21,11(34,35)36)50-14(41,42)5(20,10(31,32)33)48-12(37,38)3(17,18)8(25,26)27/h(H,45,46)

InChIKey

IJDRCJGYWUCJTR-UHFFFAOYSA-N

Compound name

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoic 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]+	828.93828	210.0
[M+Na]+	850.92022	211.2
[M-H]-	826.92372	224.7
[M+NH4]+	845.96482	223.9
[M+K]+	866.89416	226.1
[M+H-H2O]+	810.92826	196.6
[M+HCOO]-	872.92920	224.6
[M+CH3COO]-	886.94485	268.2
[M+Na-2H]-	848.90567	211.4
[M]+	827.93045	208.6
[M]-	827.93155	208.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

828.93828

210.0

[M+Na]+

850.92022

211.2

[M-H]-

826.92372

224.7

[M+NH4]+

845.96482

223.9

[M+K]+

866.89416

226.1

[M+H-H2O]+

810.92826

196.6

[M+HCOO]-

872.92920

224.6

[M+CH3COO]-

886.94485

268.2

[M+Na-2H]-

848.90567

211.4

[M]+

827.93045

208.6

[M]-

827.93155

208.6

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

Perfluoro-2,5,8,11-tetramethyl-3,6,9,12-tetraoxapentadecanoic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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