CID 10976181

15516-47-9

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)OCC(=O)Cl

InChI

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

InChIKey

VUVSVAJNUZCUFV-UHFFFAOYSA-N

Compound name

2-(4-methylphenoxy)acetyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 184.02911 Da
Monoisotopic Mass: 2.8
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