CID 5274039

Schembl25348875

Structural Information

Molecular Formula

C₁₅H₁₂F₃NO₂

SMILES

CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)C(F)(F)F)O

InChI

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

InChIKey

RKZKKGXEBMDVIT-UHFFFAOYSA-N

Compound name

2-hydroxy-4-methyl-N-[4-(trifluoromethyl)phenyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 295.082 Da
Monoisotopic Mass: 4.5
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	163.1
[M+Na]+	318.07122	171.4
[M-H]-	294.07472	165.2
[M+NH4]+	313.11582	177.7
[M+K]+	334.04516	166.6
[M+H-H2O]+	278.07926	153.6
[M+HCOO]-	340.08020	181.5
[M+CH3COO]-	354.09585	202.3
[M+Na-2H]-	316.05667	166.1
[M]+	295.08145	158.6
[M]-	295.08255	158.6

Literature stripe

literature stripe

Patent stripe

patents stripe