CID 5274026

Chembl2088008

Structural Information

Molecular Formula

C₁₄H₉ClF₃NO₂

SMILES

C1=CC(=CC=C1C(F)(F)F)NC(=O)C2=C(C=C(C=C2)Cl)O

InChI

InChI=1S/C14H9ClF3NO2/c15-9-3-6-11(12(20)7-9)13(21)19-10-4-1-8(2-5-10)14(16,17)18/h1-7,20H,(H,19,21)

InChIKey

JIBSTYQWLVGGPJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1
Patents: 315.0274 Da
Monoisotopic Mass: 4.8
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]+	316.03468	163.6
[M+Na]+	338.01662	173.2
[M-H]-	314.02012	165.7
[M+NH4]+	333.06122	178.3
[M+K]+	353.99056	166.8
[M+H-H2O]+	298.02466	155.1
[M+HCOO]-	360.02560	177.9
[M+CH3COO]-	374.04125	202.9
[M+Na-2H]-	336.00207	166.9
[M]+	315.02685	161.3
[M]-	315.02795	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe