CID 16226813

N-{1-[4-(2-chloroacetyl)phenyl]ethyl}acetamide

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₂

SMILES

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

InChI

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

InChIKey

LMIVOOIKJMVTTG-UHFFFAOYSA-N

Compound name

N-[1-[4-(2-chloroacetyl)phenyl]ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.0713 Da
Monoisotopic Mass: 1.7
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]+	240.078576	152.1
[M+Na]+	262.060518	159.0
[M-H]-	238.064024	155.7
[M+NH4]+	257.105123	170.3
[M+K]+	278.034458	155.5
[M+H-H2O]+	222.068560	146.9
[M+HCOO]-	284.069501	170.2
[M+CH3COO]-	298.085151	194.4
[M+Na-2H]-	260.045966	154.2
[M]+	239.07075142	154.4
[M]-	239.07184858	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.