CID 673706

56915-87-8

Structural Information

Molecular Formula

C₁₀H₈F₃NO₂

SMILES

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

InChI

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

InChIKey

QJIHIZOVLAWHFM-UHFFFAOYSA-N

Compound name

N-(3-acetylphenyl)-2,2,2-trifluoroacetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 31
Patents: 231.05072 Da
Monoisotopic Mass: 2.2
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]+	232.057996	144.5
[M+Na]+	254.039938	152.3
[M-H]-	230.043444	144.5
[M+NH4]+	249.084543	162.1
[M+K]+	270.013878	150.0
[M+H-H2O]+	214.047980	136.2
[M+HCOO]-	276.048921	163.9
[M+CH3COO]-	290.064571	191.5
[M+Na-2H]-	252.025386	148.3
[M]+	231.05017142	140.4
[M]-	231.05126858	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe