CID 124217

Sd 170

Structural Information

Molecular Formula

C₁₃H₉Cl₂NO₃

SMILES

C1=CC(=CC(=C1)O)C(=O)NC2=CC(=C(C(=C2)Cl)O)Cl

InChI

InChI=1S/C13H9Cl2NO3/c14-10-5-8(6-11(15)12(10)18)16-13(19)7-2-1-3-9(17)4-7/h1-6,17-18H,(H,16,19)

InChIKey

ZYIZNUYMGIICGZ-UHFFFAOYSA-N

Compound name

N-(3,5-dichloro-4-hydroxyphenyl)-3-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 296.99594 Da
Monoisotopic Mass: 3.3
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]+	298.003216	159.4
[M+Na]+	319.985158	169.5
[M-H]-	295.988664	163.9
[M+NH4]+	315.029763	174.9
[M+K]+	335.959098	162.9
[M+H-H2O]+	279.993200	154.8
[M+HCOO]-	341.994141	172.5
[M+CH3COO]-	356.009791	197.7
[M+Na-2H]-	317.970606	162.4
[M]+	296.99539142	162.0
[M]-	296.99648858	162.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.