PubChemLite - N,n-dibutyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanamide (C17H18F17NO3)

Structural Information

Molecular Formula

SMILES

CCCCN(CCCC)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/C17H18F17NO3/c1-3-5-7-35(8-6-4-2)9(36)10(18,13(22,23)24)37-17(33,34)12(21,15(28,29)30)38-16(31,32)11(19,20)14(25,26)27/h3-8H2,1-2H3

InChIKey

HIKBKKZYHFXKJZ-UHFFFAOYSA-N

Compound name

N,N-dibutyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide

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]+	608.10878	196.2
[M+Na]+	630.09072	203.0
[M-H]-	606.09422	206.3
[M+NH4]+	625.13532	209.9
[M+K]+	646.06466	212.5
[M+H-H2O]+	590.09876	186.5
[M+HCOO]-	652.09970	211.2
[M+CH3COO]-	666.11535	257.8
[M+Na-2H]-	628.07617	193.6
[M]+	607.10095	193.8
[M]-	607.10205	193.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

608.10878

196.2

[M+Na]+

630.09072

203.0

[M-H]-

606.09422

206.3

[M+NH4]+

625.13532

209.9

[M+K]+

646.06466

212.5

[M+H-H2O]+

590.09876

186.5

[M+HCOO]-

652.09970

211.2

[M+CH3COO]-

666.11535

257.8

[M+Na-2H]-

628.07617

193.6

[M]+

607.10095

193.8

[M]-

607.10205

193.8

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

N,n-dibutyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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