CID 248003

1204-35-9

Structural Information

Molecular Formula

C₁₀H₆ClNO₂

SMILES

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

InChI

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

InChIKey

QDEQBRUNBFJJPW-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 541
Patents: 207.00871 Da
Monoisotopic Mass: 1.7
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	140.0
[M+Na]+	229.99793	154.7
[M+NH4]+	225.04253	148.7
[M+K]+	245.97187	149.2
[M-H]-	206.00143	142.9
[M+Na-2H]-	227.98338	147.8
[M]+	207.00816	143.1
[M]-	207.00926	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe