CID 13850167

22526-30-3

Structural Information

Molecular Formula

C₈H₆Cl₂O₂

SMILES

CC(=O)C1=CC(=C(C=C1O)Cl)Cl

InChI

InChI=1S/C8H6Cl2O2/c1-4(11)5-2-6(9)7(10)3-8(5)12/h2-3,12H,1H3

InChIKey

LZDZGKFMOJUAKB-UHFFFAOYSA-N

Compound name

1-(4,5-dichloro-2-hydroxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 202
Patents: 203.97449 Da
Monoisotopic Mass: 3.1
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]+	204.98177	135.6
[M+Na]+	226.96371	150.5
[M+NH4]+	222.00831	144.5
[M+K]+	242.93765	143.8
[M-H]-	202.96721	137.1
[M+Na-2H]-	224.94916	142.2
[M]+	203.97394	138.8
[M]-	203.97504	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe