CID 2392334

34569-29-4

Structural Information

Molecular Formula

C₁₁H₈ClNO₂

SMILES

C1=CC(=CC=C1CN2C(=O)C=CC2=O)Cl

InChI

InChI=1S/C11H8ClNO2/c12-9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-6H,7H2

InChIKey

BPKNINBFRMHMQY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 221.02435 Da
Monoisotopic Mass: 1.6
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]+	222.03163	144.5
[M+Na]+	244.01357	159.0
[M+NH4]+	239.05817	153.1
[M+K]+	259.98751	153.3
[M-H]-	220.01707	147.4
[M+Na-2H]-	241.99902	152.1
[M]+	221.02380	147.6
[M]-	221.02490	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe