CID 740987

293766-12-8

Structural Information

Molecular Formula

C₁₅H₁₀Cl₂N₂O₂

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CNC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C15H10Cl2N2O2/c16-12-6-5-9(7-13(12)17)18-8-19-14(20)10-3-1-2-4-11(10)15(19)21/h1-7,18H,8H2

InChIKey

GHFYXLZKGGGKBS-UHFFFAOYSA-N

Compound name

2-[(3,4-dichloroanilino)methyl]isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 320.01193 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]+	321.019206	170.5
[M+Na]+	343.001148	182.2
[M-H]-	319.004654	176.8
[M+NH4]+	338.045753	187.8
[M+K]+	358.975088	174.7
[M+H-H2O]+	303.009190	164.0
[M+HCOO]-	365.010131	184.2
[M+CH3COO]-	379.025781	182.5
[M+Na-2H]-	340.986596	172.8
[M]+	320.01138142	174.7
[M]-	320.01247858	174.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.