CID 181504

1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C10H7Cl2NO2
SMILES
C1CC(=O)N(C1=O)C2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C10H7Cl2NO2/c11-6-2-1-3-7(10(6)12)13-8(14)4-5-9(13)15/h1-3H,4-5H2
InChIKey
VXHFRXBBDKFXAR-UHFFFAOYSA-N
Compound name
1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

242.98538 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.99266 148.4
[M+Na]+ 265.97460 159.8
[M-H]- 241.97810 153.6
[M+NH4]+ 261.01920 167.9
[M+K]+ 281.94854 154.0
[M+H-H2O]+ 225.98264 143.0
[M+HCOO]- 287.98358 161.5
[M+CH3COO]- 301.99923 188.6
[M+Na-2H]- 263.96005 149.8
[M]+ 242.98483 150.4
[M]- 242.98593 150.4
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

patents stripe