CID 729859

451491-47-7

Structural Information

Molecular Formula

C₁₆H₁₃ClF₃NO₂

SMILES

CCOC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C16H13ClF3NO2/c1-2-23-14-6-4-3-5-11(14)15(22)21-10-7-8-13(17)12(9-10)16(18,19)20/h3-9H,2H2,1H3,(H,21,22)

InChIKey

YDXZSNHARVUYNM-UHFFFAOYSA-N

Compound name

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9367
References: 103
Patents: 343.0587 Da
Monoisotopic Mass: 4.6
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]+	344.065976	173.2
[M+Na]+	366.047918	182.3
[M-H]-	342.051424	176.3
[M+NH4]+	361.092523	187.4
[M+K]+	382.021858	176.3
[M+H-H2O]+	326.055960	163.8
[M+HCOO]-	388.056901	188.2
[M+CH3COO]-	402.072551	211.3
[M+Na-2H]-	364.033366	175.7
[M]+	343.05815142	173.4
[M]-	343.05924858	173.4

Literature stripe

literature stripe

Patent stripe

patents stripe