CID 198962

3571-00-4

Structural Information

Molecular Formula

C₁₂H₁₅Cl₂NO₂

SMILES

CC1=CC=C(C=C1)CN(CCO)C(=O)C(Cl)Cl

InChI

InChI=1S/C12H15Cl2NO2/c1-9-2-4-10(5-3-9)8-15(6-7-16)12(17)11(13)14/h2-5,11,16H,6-8H2,1H3

InChIKey

LEXACAWUAADPEA-UHFFFAOYSA-N

Compound name

2,2-dichloro-N-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 275.04797 Da
Monoisotopic Mass: 2.2
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]+	276.055246	158.5
[M+Na]+	298.037188	165.4
[M-H]-	274.040694	161.3
[M+NH4]+	293.081793	175.7
[M+K]+	314.011128	161.1
[M+H-H2O]+	258.045230	154.0
[M+HCOO]-	320.046171	171.3
[M+CH3COO]-	334.061821	199.6
[M+Na-2H]-	296.022636	159.9
[M]+	275.04742142	162.7
[M]-	275.04851858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.