CID 119031785

5-(4-chlorophenyl)pyrrolidine-2,4-dione

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
C1C(=O)C(NC1=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H8ClNO2/c11-7-3-1-6(2-4-7)10-8(13)5-9(14)12-10/h1-4,10H,5H2,(H,12,14)
InChIKey
SEKBLRVBQFUKMZ-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)pyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

209.02435 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.031626 142.2
[M+Na]+ 232.013568 152.0
[M-H]- 208.017074 146.6
[M+NH4]+ 227.058173 161.8
[M+K]+ 247.987508 146.6
[M+H-H2O]+ 192.021610 136.4
[M+HCOO]- 254.022551 159.1
[M+CH3COO]- 268.038201 180.2
[M+Na-2H]- 229.999016 144.7
[M]+ 209.02380142 141.0
[M]- 209.02489858 141.0
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