CID 4182272

N-(2,2,2-trichloro-1-phenoxy-ethyl)-acetamide

Structural Information

Molecular Formula

C₁₀H₁₀Cl₃NO₂

SMILES

CC(=O)NC(C(Cl)(Cl)Cl)OC1=CC=CC=C1

InChI

InChI=1S/C10H10Cl3NO2/c1-7(15)14-9(10(11,12)13)16-8-5-3-2-4-6-8/h2-6,9H,1H3,(H,14,15)

InChIKey

JHGPJLGGWSOMDC-UHFFFAOYSA-N

Compound name

N-(2,2,2-trichloro-1-phenoxyethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 280.97772 Da
Monoisotopic Mass: 3.2
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]+	281.984996	155.8
[M+Na]+	303.966938	163.3
[M-H]-	279.970444	157.8
[M+NH4]+	299.011543	172.6
[M+K]+	319.940878	158.4
[M+H-H2O]+	263.974980	152.4
[M+HCOO]-	325.975921	163.3
[M+CH3COO]-	339.991571	196.6
[M+Na-2H]-	301.952386	159.7
[M]+	280.97717142	159.0
[M]-	280.97826858	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.