CID 2781068

278610-39-2

Structural Information

Molecular Formula

C₉H₅ClN₂O₂

SMILES

C1=CC(=C(N=C1)Cl)N2C(=O)C=CC2=O

InChI

InChI=1S/C9H5ClN2O2/c10-9-6(2-1-5-11-9)12-7(13)3-4-8(12)14/h1-5H

InChIKey

JVJJPDZQLVCNFU-UHFFFAOYSA-N

Compound name

1-(2-chloro-3-pyridinyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 208.00395 Da
Monoisotopic Mass: 0.9
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]+	209.011226	139.4
[M+Na]+	230.993168	151.1
[M-H]-	206.996674	144.2
[M+NH4]+	226.037773	158.4
[M+K]+	246.967108	146.6
[M+H-H2O]+	191.001210	132.3
[M+HCOO]-	253.002151	158.2
[M+CH3COO]-	267.017801	182.2
[M+Na-2H]-	228.978616	143.8
[M]+	208.00340142	141.5
[M]-	208.00449858	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe