PubChemLite - Chloro-perfluoro dimethyl triether undecanoic acid (C10HClF18O5)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C10HClF18O5/c11-3(14,5(16,17)18)8(25,26)33-10(29,7(22,23)24)34-9(27,28)4(15,6(19,20)21)32-2(12,13)1(30)31/h(H,30,31)

InChIKey

GEXXADHKKGBLLH-UHFFFAOYSA-N

Compound name

2-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,2,2,2-tetrafluoroethoxy]-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic 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]+	578.92978	169.4
[M+Na]+	600.91172	173.6
[M-H]-	576.91522	181.0
[M+NH4]+	595.95632	181.7
[M+K]+	616.88566	182.9
[M+H-H2O]+	560.91976	158.7
[M+HCOO]-	622.92070	188.1
[M+CH3COO]-	636.93635	241.3
[M+Na-2H]-	598.89717	169.2
[M]+	577.92195	170.8
[M]-	577.92305	170.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

578.92978

169.4

[M+Na]+

600.91172

173.6

[M-H]-

576.91522

181.0

[M+NH4]+

595.95632

181.7

[M+K]+

616.88566

182.9

[M+H-H2O]+

560.91976

158.7

[M+HCOO]-

622.92070

188.1

[M+CH3COO]-

636.93635

241.3

[M+Na-2H]-

598.89717

169.2

[M]+

577.92195

170.8

[M]-

577.92305

170.8

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

Chloro-perfluoro dimethyl triether undecanoic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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