CID 9361765

2-chloro-n-(4-chlorophenyl)-n-(2,2,2-trifluoroethyl)acetamide

Structural Information

Molecular Formula

C₁₀H₈Cl₂F₃NO

SMILES

C1=CC(=CC=C1N(CC(F)(F)F)C(=O)CCl)Cl

InChI

InChI=1S/C10H8Cl2F3NO/c11-5-9(17)16(6-10(13,14)15)8-3-1-7(12)2-4-8/h1-4H,5-6H2

InChIKey

HXRDBAJBPQQYSA-UHFFFAOYSA-N

Compound name

2-chloro-N-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 284.9935 Da
Monoisotopic Mass: 3.6
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]+	286.000776	152.5
[M+Na]+	307.982718	161.6
[M-H]-	283.986224	153.1
[M+NH4]+	303.027323	170.0
[M+K]+	323.956658	156.6
[M+H-H2O]+	267.990760	145.5
[M+HCOO]-	329.991701	163.5
[M+CH3COO]-	344.007351	201.2
[M+Na-2H]-	305.968166	155.6
[M]+	284.99295142	153.1
[M]-	284.99404858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.