CID 71327774

90890-72-5

Structural Information

Molecular Formula

C₁₅H₁₂F₃NO₃

SMILES

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

InChI

InChI=1S/C15H12F3NO3/c1-22-13-8-9(6-7-12(13)20)19-14(21)10-4-2-3-5-11(10)15(16,17)18/h2-8,20H,1H3,(H,19,21)

InChIKey

ITNBPXXRADXDBD-UHFFFAOYSA-N

Compound name

N-(4-hydroxy-3-methoxyphenyl)-2-(trifluoromethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 311.07693 Da
Monoisotopic Mass: 2.5
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]+	312.084206	166.2
[M+Na]+	334.066148	174.4
[M-H]-	310.069654	168.3
[M+NH4]+	329.110753	180.0
[M+K]+	350.040088	170.2
[M+H-H2O]+	294.074190	156.4
[M+HCOO]-	356.075131	184.8
[M+CH3COO]-	370.090781	204.4
[M+Na-2H]-	332.051596	169.3
[M]+	311.07638142	163.2
[M]-	311.07747858	163.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.