CID 846634

68658-76-4

Structural Information

Molecular Formula

C₁₅H₁₂F₃NO₂

SMILES

COC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C15H12F3NO2/c1-21-11-6-4-5-10(9-11)19-14(20)12-7-2-3-8-13(12)15(16,17)18/h2-9H,1H3,(H,19,20)

InChIKey

GHNDCJFNRIXYPW-UHFFFAOYSA-N

Compound name

N-(3-methoxyphenyl)-2-(trifluoromethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 6
References: 1
Patents: 295.082 Da
Monoisotopic Mass: 2.9
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]+	296.08928	163.2
[M+Na]+	318.07122	171.0
[M-H]-	294.07472	166.2
[M+NH4]+	313.11582	178.1
[M+K]+	334.04516	166.9
[M+H-H2O]+	278.07926	153.1
[M+HCOO]-	340.08020	183.0
[M+CH3COO]-	354.09585	203.5
[M+Na-2H]-	316.05667	167.3
[M]+	295.08145	160.1
[M]-	295.08255	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe