CID 15708953

68836-61-3

Structural Information

Molecular Formula

C₁₂H₁₃ClF₃NO₂

SMILES

CCCOCC(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F

InChI

InChI=1S/C12H13ClF3NO2/c1-2-5-19-7-11(18)17-10-4-3-8(13)6-9(10)12(14,15)16/h3-4,6H,2,5,7H2,1H3,(H,17,18)

InChIKey

PRFIIMLQPHQGOC-UHFFFAOYSA-N

Compound name

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxyacetamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 9
Patents: 295.0587 Da
Monoisotopic Mass: 2.8
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]+	296.06598	160.2
[M+Na]+	318.04792	168.8
[M-H]-	294.05142	160.0
[M+NH4]+	313.09252	176.6
[M+K]+	334.02186	164.2
[M+H-H2O]+	278.05596	152.4
[M+HCOO]-	340.05690	175.3
[M+CH3COO]-	354.07255	202.5
[M+Na-2H]-	316.03337	163.1
[M]+	295.05815	160.8
[M]-	295.05925	160.8

Literature stripe

literature stripe

Patent stripe

patents stripe