CID 79515549

1-(2-chloro-4-fluorophenyl)pyrrolidine-2,4-dione

Structural Information

Molecular Formula
C10H7ClFNO2
SMILES
C1C(=O)CN(C1=O)C2=C(C=C(C=C2)F)Cl
InChI
InChI=1S/C10H7ClFNO2/c11-8-3-6(12)1-2-9(8)13-5-7(14)4-10(13)15/h1-3H,4-5H2
InChIKey
HMBYHRLXCARQTB-UHFFFAOYSA-N
Compound name
1-(2-chloro-4-fluorophenyl)pyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.01494 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.02222 143.3
[M+Na]+ 250.00416 154.5
[M-H]- 226.00766 148.0
[M+NH4]+ 245.04876 163.1
[M+K]+ 265.97810 149.6
[M+H-H2O]+ 210.01220 136.5
[M+HCOO]- 272.01314 160.7
[M+CH3COO]- 286.02879 186.7
[M+Na-2H]- 247.98961 145.1
[M]+ 227.01439 143.3
[M]- 227.01549 143.3
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.