CID 2773252

3823-19-6

Structural Information

Molecular Formula

C₉H₇BrF₃NO

SMILES

C1=CC(=CC=C1C(F)(F)F)NC(=O)CBr

InChI

InChI=1S/C9H7BrF3NO/c10-5-8(15)14-7-3-1-6(2-4-7)9(11,12)13/h1-4H,5H2,(H,14,15)

InChIKey

FEOPWEWRBFPVKW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 46
Patents: 280.9663 Da
Monoisotopic Mass: 3.3
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]+	281.97358	159.1
[M+Na]+	303.95552	159.3
[M+NH4]+	299.00012	161.3
[M+K]+	319.92946	159.5
[M-H]-	279.95902	155.5
[M+Na-2H]-	301.94097	160.0
[M]+	280.96575	156.7
[M]-	280.96685	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe