CID 2468242

63077-41-8

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₂

SMILES

CC(=O)NCCC1=CC=C(C=C1)C(=O)CCl

InChI

InChI=1S/C12H14ClNO2/c1-9(15)14-7-6-10-2-4-11(5-3-10)12(16)8-13/h2-5H,6-8H2,1H3,(H,14,15)

InChIKey

NJBTUZLVPGGQGZ-UHFFFAOYSA-N

Compound name

N-[2-[4-(2-chloroacetyl)phenyl]ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 239.0713 Da
Monoisotopic Mass: 1.8
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	152.4
[M+Na]+	262.06052	159.5
[M-H]-	238.06402	155.8
[M+NH4]+	257.10512	170.6
[M+K]+	278.03446	155.5
[M+H-H2O]+	222.06856	146.9
[M+HCOO]-	284.06950	171.4
[M+CH3COO]-	298.08515	193.5
[M+Na-2H]-	260.04597	155.6
[M]+	239.07075	155.2
[M]-	239.07185	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe