CID 235084

22422-21-5

Structural Information

Molecular Formula

C₁₀H₁₁ClO

SMILES

CC1=CC=C(C=C1)C(=O)CCCl

InChI

InChI=1S/C10H11ClO/c1-8-2-4-9(5-3-8)10(12)6-7-11/h2-5H,6-7H2,1H3

InChIKey

DAOWEVLVOUMCEY-UHFFFAOYSA-N

Compound name

3-chloro-1-(4-methylphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 182.04984 Da
Monoisotopic Mass: 2.6
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]+	183.05712	136.2
[M+Na]+	205.03906	150.5
[M+NH4]+	200.08366	145.7
[M+K]+	221.01300	142.8
[M-H]-	181.04256	138.8
[M+Na-2H]-	203.02451	143.9
[M]+	182.04929	139.4
[M]-	182.05039	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe