CID 99162

403-97-4

Structural Information

Molecular Formula

C₁₆H₁₃ClF₃NO₂

SMILES

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

InChI

InChI=1S/C16H13ClF3NO2/c1-10-7-12(17)5-6-14(10)23-9-15(22)21-13-4-2-3-11(8-13)16(18,19)20/h2-8H,9H2,1H3,(H,21,22)

InChIKey

PXOAPXKYVHUJCO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 343.0587 Da
Monoisotopic Mass: 4.7
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

No literature data available for this compound.

Patent stripe

patents stripe