CID 16227526

3,4-dichloro-1-[(3-chlorophenyl)methyl]-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula

C₁₁H₆Cl₃NO₂

SMILES

C1=CC(=CC(=C1)Cl)CN2C(=O)C(=C(C2=O)Cl)Cl

InChI

InChI=1S/C11H6Cl3NO2/c12-7-3-1-2-6(4-7)5-15-10(16)8(13)9(14)11(15)17/h1-4H,5H2

InChIKey

COKVSADPWHRIJA-UHFFFAOYSA-N

Compound name

3,4-dichloro-1-[(3-chlorophenyl)methyl]pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.9464 Da
Monoisotopic Mass: 3.3
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]+	289.953676	158.1
[M+Na]+	311.935618	170.7
[M-H]-	287.939124	162.4
[M+NH4]+	306.980223	175.9
[M+K]+	327.909558	163.8
[M+H-H2O]+	271.943660	153.0
[M+HCOO]-	333.944601	166.6
[M+CH3COO]-	347.960251	197.6
[M+Na-2H]-	309.921066	158.1
[M]+	288.94585142	162.1
[M]-	288.94694858	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.