CID 237806

2196-99-8

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C(=O)CCl

InChI

InChI=1S/C9H9ClO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3

InChIKey

MCRINSAETDOKDE-UHFFFAOYSA-N

Compound name

2-chloro-1-(4-methoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 150
Patents: 184.02911 Da
Monoisotopic Mass: 2.4
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]+	185.03639	134.5
[M+Na]+	207.01833	148.6
[M+NH4]+	202.06293	143.6
[M+K]+	222.99227	141.6
[M-H]-	183.02183	136.6
[M+Na-2H]-	205.00378	142.0
[M]+	184.02856	137.4
[M]-	184.02966	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe