CID 2736416

175278-18-9

Structural Information

Molecular Formula

C₉H₇BrF₃NO₂

SMILES

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

InChI

InChI=1S/C9H7BrF3NO2/c1-5(15)14-7-3-2-6(10)4-8(7)16-9(11,12)13/h2-4H,1H3,(H,14,15)

InChIKey

SHHWWZMWTUTJPY-UHFFFAOYSA-N

Compound name

N-[4-bromo-2-(trifluoromethoxy)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 296.96124 Da
Monoisotopic Mass: 3.2
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]+	297.96852	162.3
[M+Na]+	319.95046	162.4
[M+NH4]+	314.99506	164.1
[M+K]+	335.92440	163.1
[M-H]-	295.95396	158.3
[M+Na-2H]-	317.93591	162.6
[M]+	296.96069	159.8
[M]-	296.96179	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe