CID 347066

2,4-dichlorobenzanilide

Structural Information

Molecular Formula

C₁₃H₉Cl₂NO

SMILES

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

InChI

InChI=1S/C13H9Cl2NO/c14-9-6-7-11(12(15)8-9)13(17)16-10-4-2-1-3-5-10/h1-8H,(H,16,17)

InChIKey

XMFGGNMHIVSTGZ-UHFFFAOYSA-N

Compound name

2,4-dichloro-N-phenylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 265.00613 Da
Monoisotopic Mass: 4.4
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]+	266.01341	154.6
[M+Na]+	287.99535	164.0
[M-H]-	263.99885	160.8
[M+NH4]+	283.03995	172.2
[M+K]+	303.96929	157.5
[M+H-H2O]+	248.00339	149.0
[M+HCOO]-	310.00433	170.1
[M+CH3COO]-	324.01998	195.8
[M+Na-2H]-	285.98080	159.6
[M]+	265.00558	157.1
[M]-	265.00668	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe