CID 137261

1939-21-5

Structural Information

Molecular Formula

C₁₅H₁₂F₃NO

SMILES

C1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C15H12F3NO/c16-15(17,18)12-7-4-8-13(10-12)19-14(20)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,20)

InChIKey

AWZJXXWDKOAELM-UHFFFAOYSA-N

Compound name

2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 279.0871 Da
Monoisotopic Mass: 4.2
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]+	280.09438	163.9
[M+Na]+	302.07632	173.9
[M+NH4]+	297.12092	169.6
[M+K]+	318.05026	167.4
[M-H]-	278.07982	163.6
[M+Na-2H]-	300.06177	170.5
[M]+	279.08655	165.0
[M]-	279.08765	165.0

Literature stripe

literature stripe

Patent stripe

patents stripe