CID 2384321

34987-36-5

Structural Information

Molecular Formula

C₉H₈Cl₂O₂

SMILES

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

InChI

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

InChIKey

WWNJCGKNKZXVIS-UHFFFAOYSA-N

Compound name

1-[5-chloro-3-(chloromethyl)-2-hydroxyphenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 217.99013 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]+	218.99741	138.5
[M+Na]+	240.97935	149.4
[M-H]-	216.98285	141.1
[M+NH4]+	236.02395	158.4
[M+K]+	256.95329	144.2
[M+H-H2O]+	200.98739	135.6
[M+HCOO]-	262.98833	151.7
[M+CH3COO]-	277.00398	184.8
[M+Na-2H]-	238.96480	142.0
[M]+	217.98958	142.3
[M]-	217.99068	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe