CID 16227548

1579-89-1

Structural Information

Molecular Formula

C₉H₉F₃N₂O

SMILES

CC(=O)NC1=CC(=C(C=C1)N)C(F)(F)F

InChI

InChI=1S/C9H9F3N2O/c1-5(15)14-6-2-3-8(13)7(4-6)9(10,11)12/h2-4H,13H2,1H3,(H,14,15)

InChIKey

QMCLCXKXDXBQLB-UHFFFAOYSA-N

Compound name

N-[4-amino-3-(trifluoromethyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 88
Patents: 218.0667 Da
Monoisotopic Mass: 2.0
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]+	219.07398	146.4
[M+Na]+	241.05592	153.7
[M+NH4]+	236.10052	151.2
[M+K]+	257.02986	149.8
[M-H]-	217.05942	143.7
[M+Na-2H]-	239.04137	149.7
[M]+	218.06615	146.1
[M]-	218.06725	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe