CID 14293

2,3-dichloro-n-methylmaleimide

Structural Information

Molecular Formula

C₅H₃Cl₂NO₂

SMILES

CN1C(=O)C(=C(C1=O)Cl)Cl

InChI

InChI=1S/C5H3Cl2NO2/c1-8-4(9)2(6)3(7)5(8)10/h1H3

InChIKey

PYOLPWAVSYVLMM-UHFFFAOYSA-N

Compound name

3,4-dichloro-1-methylpyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 281
Patents: 178.95409 Da
Monoisotopic Mass: 1.2
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]+	179.96137	128.8
[M+Na]+	201.94331	141.9
[M-H]-	177.94681	131.6
[M+NH4]+	196.98791	151.3
[M+K]+	217.91725	137.7
[M+H-H2O]+	161.95135	125.4
[M+HCOO]-	223.95229	143.5
[M+CH3COO]-	237.96794	178.0
[M+Na-2H]-	199.92876	131.8
[M]+	178.95354	132.4
[M]-	178.95464	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe