CID 23509265

134612-84-3

Structural Information

Molecular Formula

C₁₃H₉ClO₃

SMILES

C1=CC(=CC=C1C(=O)C2=CC(=C(C=C2)O)O)Cl

InChI

InChI=1S/C13H9ClO3/c14-10-4-1-8(2-5-10)13(17)9-3-6-11(15)12(16)7-9/h1-7,15-16H

InChIKey

SYNNFRPIIUNOHK-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-(3,4-dihydroxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 24
Patents: 248.02402 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]+	249.03130	149.3
[M+Na]+	271.01324	159.0
[M-H]-	247.01674	154.2
[M+NH4]+	266.05784	166.3
[M+K]+	286.98718	153.5
[M+H-H2O]+	231.02128	144.0
[M+HCOO]-	293.02222	166.5
[M+CH3COO]-	307.03787	187.4
[M+Na-2H]-	268.99869	153.4
[M]+	248.02347	150.9
[M]-	248.02457	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe