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: 24
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	152.3
[M+Na]+	262.06052	164.0
[M+NH4]+	257.10512	159.8
[M+K]+	278.03446	157.4
[M-H]-	238.06402	153.9
[M+Na-2H]-	260.04597	158.0
[M]+	239.07075	154.5
[M]-	239.07185	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe