CID 360325

29244-55-1

Structural Information

Molecular Formula

C₁₁H₇Cl₂NO₂

SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)Cl

InChI

InChI=1S/C11H7Cl2NO2/c1-6-2-4-7(5-3-6)14-10(15)8(12)9(13)11(14)16/h2-5H,1H3

InChIKey

BMIYQLIZIPDXAS-UHFFFAOYSA-N

Compound name

3,4-dichloro-1-(4-methylphenyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 254.98538 Da
Monoisotopic Mass: 3.1
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]+	255.99266	150.6
[M+Na]+	277.97460	163.5
[M-H]-	253.97810	156.4
[M+NH4]+	273.01920	170.0
[M+K]+	293.94854	157.3
[M+H-H2O]+	237.98264	145.3
[M+HCOO]-	299.98358	164.8
[M+CH3COO]-	313.99923	192.4
[M+Na-2H]-	275.96005	151.8
[M]+	254.98483	154.8
[M]-	254.98593	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe