PubChemLite - Methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetate (C11H3F19O5)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C11H3F19O5/c1-32-2(31)3(12,13)33-8(23,24)9(25,26)35-11(29,30)10(27,28)34-7(21,22)5(16,17)4(14,15)6(18,19)20/h1H3

InChIKey

FMEDKXCQTKWGKE-UHFFFAOYSA-N

Compound name

methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetate

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]+	576.97498	173.0
[M+Na]+	598.95692	177.5
[M-H]-	574.96042	183.9
[M+NH4]+	594.00152	186.5
[M+K]+	614.93086	187.0
[M+H-H2O]+	558.96496	162.9
[M+HCOO]-	620.96590	192.1
[M+CH3COO]-	634.98155	245.8
[M+Na-2H]-	596.94237	172.9
[M]+	575.96715	172.7
[M]-	575.96825	172.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

576.97498

173.0

[M+Na]+

598.95692

177.5

[M-H]-

574.96042

183.9

[M+NH4]+

594.00152

186.5

[M+K]+

614.93086

187.0

[M+H-H2O]+

558.96496

162.9

[M+HCOO]-

620.96590

192.1

[M+CH3COO]-

634.98155

245.8

[M+Na-2H]-

596.94237

172.9

[M]+

575.96715

172.7

[M]-

575.96825

172.7

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

Methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe