CID 32487

N-(4-acetylphenyl)-2,2,2-trifluoroacetamide

Structural Information

Molecular Formula

C₁₀H₈F₃NO₂

SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C(F)(F)F

InChI

InChI=1S/C10H8F3NO2/c1-6(15)7-2-4-8(5-3-7)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16)

InChIKey

IILMTVMHMUEWFW-UHFFFAOYSA-N

Compound name

N-(4-acetylphenyl)-2,2,2-trifluoroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 231.05072 Da
Monoisotopic Mass: 2.3
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]+	232.05800	151.1
[M+Na]+	254.03994	158.6
[M+NH4]+	249.08454	155.5
[M+K]+	270.01388	154.7
[M-H]-	230.04344	147.4
[M+Na-2H]-	252.02539	154.2
[M]+	231.05017	150.6
[M]-	231.05127	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe