CID 124579

Tetrachlorosalicylanilide

Structural Information

Molecular Formula

C₁₃H₇Cl₄NO₂

SMILES

C1=CC=C(C=C1)NC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)O

InChI

InChI=1S/C13H7Cl4NO2/c14-8-7(12(19)11(17)10(16)9(8)15)13(20)18-6-4-2-1-3-5-6/h1-5,19H,(H,18,20)

InChIKey

BDOBMVIEWHZYDL-UHFFFAOYSA-N

Compound name

2,3,4,5-tetrachloro-6-hydroxy-N-phenylbenzamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 925
Patents: 348.9231 Da
Monoisotopic Mass: 5.5
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]+	349.93038	168.1
[M+Na]+	371.91232	178.8
[M-H]-	347.91582	171.0
[M+NH4]+	366.95692	182.1
[M+K]+	387.88626	171.8
[M+H-H2O]+	331.92036	164.8
[M+HCOO]-	393.92130	171.4
[M+CH3COO]-	407.93695	209.3
[M+Na-2H]-	369.89777	168.3
[M]+	348.92255	171.0
[M]-	348.92365	171.0

Literature stripe

literature stripe

Patent stripe

patents stripe