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]+ 243.992656 148.4
[M+Na]+ 265.974598 159.8
[M-H]- 241.978104 153.6
[M+NH4]+ 261.019203 167.9
[M+K]+ 281.948538 154.0
[M+H-H2O]+ 225.982640 143.0
[M+HCOO]- 287.983581 161.5
[M+CH3COO]- 301.999231 188.6
[M+Na-2H]- 263.960046 149.8
[M]+ 242.98483142 150.4
[M]- 242.98592858 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