PubChemLite - 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-(pentafluorophenyl)propan-1-one (C15F22O3)

Structural Information

Molecular Formula

SMILES

C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)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

InChI

InChI=1S/C15F22O3/c16-2-1(3(17)5(19)6(20)4(2)18)7(38)8(21,11(25,26)27)39-15(36,37)10(24,13(31,32)33)40-14(34,35)9(22,23)12(28,29)30

InChIKey

UEECKBUYHXWTDF-UHFFFAOYSA-N

Compound name

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-(2,3,4,5,6-pentafluorophenyl)propan-1-one

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]+	646.95688	182.0
[M+Na]+	668.93882	188.2
[M-H]-	644.94232	191.0
[M+NH4]+	663.98342	194.0
[M+K]+	684.91276	196.9
[M+H-H2O]+	628.94686	173.7
[M+HCOO]-	690.94780	203.2
[M+CH3COO]-	704.96345	258.6
[M+Na-2H]-	666.92427	182.2
[M]+	645.94905	177.3
[M]-	645.95015	177.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

646.95688

182.0

[M+Na]+

668.93882

188.2

[M-H]-

644.94232

191.0

[M+NH4]+

663.98342

194.0

[M+K]+

684.91276

196.9

[M+H-H2O]+

628.94686

173.7

[M+HCOO]-

690.94780

203.2

[M+CH3COO]-

704.96345

258.6

[M+Na-2H]-

666.92427

182.2

[M]+

645.94905

177.3

[M]-

645.95015

177.3

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

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-(pentafluorophenyl)propan-1-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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