PubChemLite - N-2-pyrimidinylperfluoro-2-(2-propoxypropoxy)propanamide (C13H4F17N3O3)

Structural Information

Molecular Formula

SMILES

C1=CN=C(N=C1)NC(=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/C13H4F17N3O3/c14-6(9(18,19)20,4(34)33-5-31-2-1-3-32-5)35-13(29,30)8(17,11(24,25)26)36-12(27,28)7(15,16)10(21,22)23/h1-3H,(H,31,32,33,34)

InChIKey

VPTHWNGRLDBEJL-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]-N-pyrimidin-2-ylpropanamide

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]+	574.00538	212.0
[M+Na]+	595.98732	175.1
[M-H]-	571.99082	175.8
[M+NH4]+	591.03192	176.7
[M+K]+	611.96126	216.6
[M+H-H2O]+	555.99536	193.8
[M+HCOO]-	617.99630	187.2
[M+CH3COO]-	632.01195	246.1
[M+Na-2H]-	593.97277	216.6
[M]+	572.99755	162.3
[M]-	572.99865	162.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

574.00538

212.0

[M+Na]+

595.98732

175.1

[M-H]-

571.99082

175.8

[M+NH4]+

591.03192

176.7

[M+K]+

611.96126

216.6

[M+H-H2O]+

555.99536

193.8

[M+HCOO]-

617.99630

187.2

[M+CH3COO]-

632.01195

246.1

[M+Na-2H]-

593.97277

216.6

[M]+

572.99755

162.3

[M]-

572.99865

162.3

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

N-2-pyrimidinylperfluoro-2-(2-propoxypropoxy)propanamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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