CID 37486

Brn 1822123

Structural Information

Molecular Formula

C₁₃H₁₀Cl₂N₂O

SMILES

C1=CC(=CC=C1C(=O)NNC2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H10Cl2N2O/c14-10-3-1-9(2-4-10)13(18)17-16-12-7-5-11(15)6-8-12/h1-8,16H,(H,17,18)

InChIKey

TVQQGOLXTDUULU-UHFFFAOYSA-N

Compound name

4-chloro-N'-(4-chlorophenyl)benzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 280.01703 Da
Monoisotopic Mass: 4.3
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]+	281.024306	159.5
[M+Na]+	303.006248	167.9
[M-H]-	279.009754	165.6
[M+NH4]+	298.050853	176.1
[M+K]+	318.980188	161.4
[M+H-H2O]+	263.014290	153.5
[M+HCOO]-	325.015231	176.0
[M+CH3COO]-	339.030881	200.7
[M+Na-2H]-	300.991696	164.7
[M]+	280.01648142	161.3
[M]-	280.01757858	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe