PubChemLite - 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-n-phenylpropanamide (C15H6F17NO3)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=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/C15H6F17NO3/c16-8(11(20,21)22,7(34)33-6-4-2-1-3-5-6)35-15(31,32)10(19,13(26,27)28)36-14(29,30)9(17,18)12(23,24)25/h1-5H,(H,33,34)

InChIKey

ZNSJFNNRKLUACB-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-phenylpropanamide

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]+	572.01488	167.8
[M+Na]+	593.99682	176.2
[M-H]-	570.00032	177.9
[M+NH4]+	589.04142	178.8
[M+K]+	609.97076	181.0
[M+H-H2O]+	554.00486	194.8
[M+HCOO]-	616.00580	189.4
[M+CH3COO]-	630.02145	246.7
[M+Na-2H]-	591.98227	215.4
[M]+	571.00705	164.9
[M]-	571.00815	164.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

572.01488

167.8

[M+Na]+

593.99682

176.2

[M-H]-

570.00032

177.9

[M+NH4]+

589.04142

178.8

[M+K]+

609.97076

181.0

[M+H-H2O]+

554.00486

194.8

[M+HCOO]-

616.00580

189.4

[M+CH3COO]-

630.02145

246.7

[M+Na-2H]-

591.98227

215.4

[M]+

571.00705

164.9

[M]-

571.00815

164.9

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-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-n-phenylpropanamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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