PubChemLite - 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-(piperidin-1-yl)propan-1-one (C14H10F17NO3)

Structural Information

Molecular Formula

SMILES

C1CCN(CC1)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/C14H10F17NO3/c15-7(10(19,20)21,6(33)32-4-2-1-3-5-32)34-14(30,31)9(18,12(25,26)27)35-13(28,29)8(16,17)11(22,23)24/h1-5H2

InChIKey

NAAVGJAQOMZPSW-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-piperidin-1-ylpropan-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]+	564.04622	171.9
[M+Na]+	586.02816	179.8
[M-H]-	562.03166	180.7
[M+NH4]+	581.07276	184.0
[M+K]+	602.00210	185.4
[M+H-H2O]+	546.03620	195.9
[M+HCOO]-	608.03714	195.8
[M+CH3COO]-	622.05279	243.3
[M+Na-2H]-	584.01361	214.2
[M]+	563.03839	171.1
[M]-	563.03949	171.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

564.04622

171.9

[M+Na]+

586.02816

179.8

[M-H]-

562.03166

180.7

[M+NH4]+

581.07276

184.0

[M+K]+

602.00210

185.4

[M+H-H2O]+

546.03620

195.9

[M+HCOO]-

608.03714

195.8

[M+CH3COO]-

622.05279

243.3

[M+Na-2H]-

584.01361

214.2

[M]+

563.03839

171.1

[M]-

563.03949

171.1

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-(piperidin-1-yl)propan-1-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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