CID 5274022

Chembl2088006

Structural Information

Molecular Formula

C₁₃H₈Cl₃NO₂

SMILES

C1=CC(=C(C=C1NC(=O)C2=C(C=C(C=C2)Cl)O)Cl)Cl

InChI

InChI=1S/C13H8Cl3NO2/c14-7-1-3-9(12(18)5-7)13(19)17-8-2-4-10(15)11(16)6-8/h1-6,18H,(H,17,19)

InChIKey

MDKNTSLXUMHXBT-UHFFFAOYSA-N

Compound name

4-chloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 8
Patents: 314.96207 Da
Monoisotopic Mass: 5.2
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]+	315.96935	162.5
[M+Na]+	337.95129	172.9
[M-H]-	313.95479	166.8
[M+NH4]+	332.99589	177.9
[M+K]+	353.92523	165.8
[M+H-H2O]+	297.95933	158.3
[M+HCOO]-	359.96027	171.3
[M+CH3COO]-	373.97592	202.8
[M+Na-2H]-	335.93674	164.7
[M]+	314.96152	165.7
[M]-	314.96262	165.7

Literature stripe

literature stripe

Patent stripe

patents stripe