CID 275109

3-chloro-n-(3-chlorophenyl)benzamide

Structural Information

Molecular Formula

C₁₃H₉Cl₂NO

SMILES

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

InChI

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

InChIKey

CNQGVYDVSJJQCU-UHFFFAOYSA-N

Compound name

3-chloro-N-(3-chlorophenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 32
Patents: 265.00613 Da
Monoisotopic Mass: 3.9
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]+	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