CID 4136123

1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C10H7ClFNO2
SMILES
C1CC(=O)N(C1=O)C2=CC(=C(C=C2)F)Cl
InChI
InChI=1S/C10H7ClFNO2/c11-7-5-6(1-2-8(7)12)13-9(14)3-4-10(13)15/h1-2,5H,3-4H2
InChIKey
CYGYYRKVXRJNOQ-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.01494 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.02222 145.1
[M+Na]+ 250.00416 158.0
[M+NH4]+ 245.04876 152.8
[M+K]+ 265.97810 153.1
[M-H]- 226.00766 146.2
[M+Na-2H]- 247.98961 150.8
[M]+ 227.01439 147.3
[M]- 227.01549 147.3
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.