PubChemLite - Perfluoro-2-(2-ethoxyethoxy)-1,1-diphenylethan-1-ol (C18HF21O3)

Structural Information

Molecular Formula

SMILES

C1(=C(C(=C(C(=C1F)F)F)F)F)C(C2=C(C(=C(C(=C2F)F)F)F)F)(C(OC(C(OC(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O

InChI

InChI=1S/C18HF21O3/c19-3-1(4(20)8(24)11(27)7(3)23)13(40,2-5(21)9(25)12(28)10(26)6(2)22)15(32,33)41-17(36,37)18(38,39)42-16(34,35)14(29,30)31/h40H

InChIKey

DXMNIUZVFLURQX-UHFFFAOYSA-N

Compound name

2,2-difluoro-1,1-bis(2,3,4,5,6-pentafluorophenyl)-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethanol

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]+	664.96633	241.6
[M+Na]+	686.94827	256.2
[M-H]-	662.95177	227.9
[M+NH4]+	681.99287	189.0
[M+K]+	702.92221	248.8
[M+H-H2O]+	646.95631	221.3
[M+HCOO]-	708.95725	205.6
[M+CH3COO]-	722.97290	264.2
[M+Na-2H]-	684.93372	234.2
[M]+	663.95850	216.5
[M]-	663.95960	216.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

664.96633

241.6

[M+Na]+

686.94827

256.2

[M-H]-

662.95177

227.9

[M+NH4]+

681.99287

189.0

[M+K]+

702.92221

248.8

[M+H-H2O]+

646.95631

221.3

[M+HCOO]-

708.95725

205.6

[M+CH3COO]-

722.97290

264.2

[M+Na-2H]-

684.93372

234.2

[M]+

663.95850

216.5

[M]-

663.95960

216.5

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

Perfluoro-2-(2-ethoxyethoxy)-1,1-diphenylethan-1-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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