CID 2531772

N-{[4-(2-chloroacetyl)phenyl]methyl}-n-methylacetamide

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₂

SMILES

CC(=O)N(C)CC1=CC=C(C=C1)C(=O)CCl

InChI

InChI=1S/C12H14ClNO2/c1-9(15)14(2)8-10-3-5-11(6-4-10)12(16)7-13/h3-6H,7-8H2,1-2H3

InChIKey

KASXQVKGTIOCGV-UHFFFAOYSA-N

Compound name

N-[[4-(2-chloroacetyl)phenyl]methyl]-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 239.0713 Da
Monoisotopic Mass: 1.5
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]+	240.07858	151.6
[M+Na]+	262.06052	158.9
[M-H]-	238.06402	156.6
[M+NH4]+	257.10512	170.5
[M+K]+	278.03446	156.4
[M+H-H2O]+	222.06856	146.1
[M+HCOO]-	284.06950	171.2
[M+CH3COO]-	298.08515	196.9
[M+Na-2H]-	260.04597	154.2
[M]+	239.07075	155.9
[M]-	239.07185	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe