CID 39236

N-(3-chlorophenyl)chloromaleimide

Structural Information

Molecular Formula
C10H5Cl2NO2
SMILES
C1=CC(=CC(=C1)Cl)N2C(=O)C=C(C2=O)Cl
InChI
InChI=1S/C10H5Cl2NO2/c11-6-2-1-3-7(4-6)13-9(14)5-8(12)10(13)15/h1-5H
InChIKey
VAPQHSHEGBPFDF-UHFFFAOYSA-N
Compound name
3-chloro-1-(3-chlorophenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.96973 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.97701 146.5
[M+Na]+ 263.95895 158.9
[M-H]- 239.96245 152.1
[M+NH4]+ 259.00355 166.2
[M+K]+ 279.93289 153.0
[M+H-H2O]+ 223.96699 141.1
[M+HCOO]- 285.96793 161.1
[M+CH3COO]- 299.98358 188.3
[M+Na-2H]- 261.94440 148.9
[M]+ 240.96918 149.9
[M]- 240.97028 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.