CID 24326

1147-98-4

Structural Information

Molecular Formula

C₁₃H₉Cl₂NO₂

SMILES

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

InChI

InChI=1S/C13H9Cl2NO2/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17/h1-7,17H,(H,16,18)

InChIKey

PVWWOFBIYKSBEX-UHFFFAOYSA-N

Compound name

5-chloro-N-(4-chlorophenyl)-2-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 129
Patents: 281.00104 Da
Monoisotopic Mass: 4.5
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]+	282.00832	157.1
[M+Na]+	303.99026	166.8
[M-H]-	279.99376	162.4
[M+NH4]+	299.03486	173.7
[M+K]+	319.96420	160.2
[M+H-H2O]+	263.99830	152.0
[M+HCOO]-	325.99924	171.4
[M+CH3COO]-	340.01489	196.6
[M+Na-2H]-	301.97571	161.0
[M]+	281.00049	159.6
[M]-	281.00159	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe