PubChemLite - 2h-perfluoro-5,8-dimethyl-3,6,9-trioxadodecane (C11HF23O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C11HF23O3/c12-1(2(13,14)15)35-10(31,32)4(18,7(23,24)25)37-11(33,34)5(19,8(26,27)28)36-9(29,30)3(16,17)6(20,21)22/h1H

InChIKey

QRLOKTBZZPZAMX-UHFFFAOYSA-N

Compound name

1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane

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]+	618.96318	178.5
[M+Na]+	640.94512	182.8
[M-H]-	616.94862	188.7
[M+NH4]+	635.98972	191.0
[M+K]+	656.91906	194.1
[M+H-H2O]+	600.95316	167.7
[M+HCOO]-	662.95410	196.3
[M+CH3COO]-	676.96975	251.3
[M+Na-2H]-	638.93057	179.7
[M]+	617.95535	176.2
[M]-	617.95645	176.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

618.96318

178.5

[M+Na]+

640.94512

182.8

[M-H]-

616.94862

188.7

[M+NH4]+

635.98972

191.0

[M+K]+

656.91906

194.1

[M+H-H2O]+

600.95316

167.7

[M+HCOO]-

662.95410

196.3

[M+CH3COO]-

676.96975

251.3

[M+Na-2H]-

638.93057

179.7

[M]+

617.95535

176.2

[M]-

617.95645

176.2

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

2h-perfluoro-5,8-dimethyl-3,6,9-trioxadodecane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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