CID 2526704

851879-22-6

Structural Information

Molecular Formula

C₁₀H₁₀Cl₂FNO

SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)CCl

InChI

InChI=1S/C10H10Cl2FNO/c1-14(10(15)5-11)6-7-8(12)3-2-4-9(7)13/h2-4H,5-6H2,1H3

InChIKey

DOEZIAVDDBCIOS-UHFFFAOYSA-N

Compound name

2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 249.01234 Da
Monoisotopic Mass: 2.6
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]+	250.019616	148.1
[M+Na]+	272.001558	157.6
[M-H]-	248.005064	151.4
[M+NH4]+	267.046163	167.4
[M+K]+	287.975498	153.1
[M+H-H2O]+	232.009600	143.0
[M+HCOO]-	294.010541	162.7
[M+CH3COO]-	308.026191	197.3
[M+Na-2H]-	269.987006	151.0
[M]+	249.01179142	151.9
[M]-	249.01288858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.