CID 13493854

214760-34-6

Structural Information

Molecular Formula

SMILES

CC(=O)C1=CC(=CC(=C1)Cl)OC

InChI

InChI=1S/C9H9ClO2/c1-6(11)7-3-8(10)5-9(4-7)12-2/h3-5H,1-2H3

InChIKey

APUPUAUXLNOREF-UHFFFAOYSA-N

Compound name

1-(3-chloro-5-methoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 184.02911 Da
Monoisotopic Mass: 2.9
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]+	185.03639	133.1
[M+Na]+	207.01833	143.3
[M-H]-	183.02183	137.5
[M+NH4]+	202.06293	154.4
[M+K]+	222.99227	140.4
[M+H-H2O]+	167.02637	128.9
[M+HCOO]-	229.02731	152.9
[M+CH3COO]-	243.04296	181.4
[M+Na-2H]-	205.00378	138.5
[M]+	184.02856	137.5
[M]-	184.02966	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe