CID 14550

1203-24-3

Structural Information

Molecular Formula

C₁₀H₆ClNO₂

SMILES

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

InChI

InChI=1S/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H

InChIKey

KPQOXMCRYWDRSB-UHFFFAOYSA-N

Compound name

1-(2-chlorophenyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 3369
Patents: 207.00871 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]+	208.01599	139.6
[M+Na]+	229.99793	151.0
[M-H]-	206.00143	145.8
[M+NH4]+	225.04253	160.1
[M+K]+	245.97187	146.3
[M+H-H2O]+	190.00597	133.6
[M+HCOO]-	252.00691	159.6
[M+CH3COO]-	266.02256	182.4
[M+Na-2H]-	227.98338	143.7
[M]+	207.00816	141.8
[M]-	207.00926	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe