CID 246339

N,n-diallyl-2,2,2-trifluoroacetamide

Structural Information

Molecular Formula

C₈H₁₀F₃NO

SMILES

C=CCN(CC=C)C(=O)C(F)(F)F

InChI

InChI=1S/C8H10F3NO/c1-3-5-12(6-4-2)7(13)8(9,10)11/h3-4H,1-2,5-6H2

InChIKey

YLFAOCVUPKJNHP-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-N,N-bis(prop-2-enyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 90
Patents: 193.07144 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

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]+	194.07872	137.9
[M+Na]+	216.06066	145.0
[M-H]-	192.06416	135.6
[M+NH4]+	211.10526	157.7
[M+K]+	232.03460	143.8
[M+H-H2O]+	176.06870	130.5
[M+HCOO]-	238.06964	157.8
[M+CH3COO]-	252.08529	188.8
[M+Na-2H]-	214.04611	141.2
[M]+	193.07089	134.7
[M]-	193.07199	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe