CID 8805

140-49-8

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₂

SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)CCl

InChI

InChI=1S/C10H10ClNO2/c1-7(13)12-9-4-2-8(3-5-9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13)

InChIKey

VMMDOCYDNRLESP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 126
Patents: 211.04001 Da
Monoisotopic Mass: 1.9
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]+	212.04729	143.2
[M+Na]+	234.02923	155.4
[M+NH4]+	229.07383	151.1
[M+K]+	250.00317	149.3
[M-H]-	210.03273	145.0
[M+Na-2H]-	232.01468	149.5
[M]+	211.03946	145.5
[M]-	211.04056	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe