CID 14385

1154-59-2

Structural Information

Molecular Formula

C₁₃H₇Cl₄NO₂

SMILES

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

InChI

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

InChIKey

SJQBHPJLLIJASD-UHFFFAOYSA-N

Compound name

3,5-dichloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 166
References: 1256
Patents: 348.9231 Da
Monoisotopic Mass: 5.9
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]+	349.930376	168.1
[M+Na]+	371.912318	178.8
[M-H]-	347.915824	171.0
[M+NH4]+	366.956923	182.1
[M+K]+	387.886258	171.8
[M+H-H2O]+	331.920360	164.8
[M+HCOO]-	393.921301	171.4
[M+CH3COO]-	407.936951	209.3
[M+Na-2H]-	369.897766	168.3
[M]+	348.92255142	171.0
[M]-	348.92364858	171.0

Literature stripe

literature stripe

Patent stripe

patents stripe