CID 96043

17199-30-3

Structural Information

Molecular Formula

C₉H₈Cl₂O₂

SMILES

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

InChI

InChI=1S/C9H8Cl2O2/c1-6(12)5-13-9-3-2-7(10)4-8(9)11/h2-4H,5H2,1H3

InChIKey

MQYQBKDURLWQTF-UHFFFAOYSA-N

Compound name

1-(2,4-dichlorophenoxy)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 217.99013 Da
Monoisotopic Mass: 3.0
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]+	218.99741	139.9
[M+Na]+	240.97935	154.7
[M+NH4]+	236.02395	148.9
[M+K]+	256.95329	147.3
[M-H]-	216.98285	141.8
[M+Na-2H]-	238.96480	147.0
[M]+	217.98958	143.2
[M]-	217.99068	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe