CID 74437

1737-06-0

Structural Information

Molecular Formula

C₉H₈F₃NO₂

SMILES

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

InChI

InChI=1S/C9H8F3NO2/c1-6(14)13-7-2-4-8(5-3-7)15-9(10,11)12/h2-5H,1H3,(H,13,14)

InChIKey

QQRLAETWHFRNQH-UHFFFAOYSA-N

Compound name

N-[4-(trifluoromethoxy)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 106
Patents: 219.05072 Da
Monoisotopic Mass: 2.6
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]+	220.05800	147.4
[M+Na]+	242.03994	155.4
[M+NH4]+	237.08454	152.4
[M+K]+	258.01388	151.1
[M-H]-	218.04344	144.2
[M+Na-2H]-	240.02539	151.2
[M]+	219.05017	147.2
[M]-	219.05127	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe