CID 2733246

3-methoxyphenylacetyl chloride

Structural Information

Molecular Formula

SMILES

COC1=CC=CC(=C1)CC(=O)Cl

InChI

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

InChIKey

UZUYKYNVSJTWEH-UHFFFAOYSA-N

Compound name

2-(3-methoxyphenyl)acetyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1079
Patents: 184.02911 Da
Monoisotopic Mass: 2.5
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]+	185.036386	134.1
[M+Na]+	207.018328	143.3
[M-H]-	183.021834	138.0
[M+NH4]+	202.062933	155.1
[M+K]+	222.992268	140.3
[M+H-H2O]+	167.026370	129.6
[M+HCOO]-	229.027311	153.9
[M+CH3COO]-	243.042961	180.3
[M+Na-2H]-	205.003776	140.1
[M]+	184.02856142	138.0
[M]-	184.02965858	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe