CID 770786

200807-44-9

Structural Information

Molecular Formula

C₁₃H₈Cl₃NO

SMILES

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

InChI

InChI=1S/C13H8Cl3NO/c14-8-5-6-12(11(16)7-8)17-13(18)9-3-1-2-4-10(9)15/h1-7H,(H,17,18)

InChIKey

OMHIYNBYBMNZOG-UHFFFAOYSA-N

Compound name

2-chloro-N-(2,4-dichlorophenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 298.96713 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]+	299.97441	160.6
[M+Na]+	321.95635	170.7
[M-H]-	297.95985	165.7
[M+NH4]+	317.00095	177.1
[M+K]+	337.93029	163.6
[M+H-H2O]+	281.96439	155.8
[M+HCOO]-	343.96533	170.5
[M+CH3COO]-	357.98098	202.0
[M+Na-2H]-	319.94180	163.7
[M]+	298.96658	163.7
[M]-	298.96768	163.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.