CID 53621860

3-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C11H10FNO2
SMILES
C1C(C(=O)NC1=O)CC2=CC=C(C=C2)F
InChI
InChI=1S/C11H10FNO2/c12-9-3-1-7(2-4-9)5-8-6-10(14)13-11(8)15/h1-4,8H,5-6H2,(H,13,14,15)
InChIKey
FHFPYXBMRQZGPA-UHFFFAOYSA-N
Compound name
3-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

207.06955 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.076826 142.0
[M+Na]+ 230.058768 150.7
[M-H]- 206.062274 145.0
[M+NH4]+ 225.103373 160.8
[M+K]+ 246.032708 146.5
[M+H-H2O]+ 190.066810 134.6
[M+HCOO]- 252.067751 162.2
[M+CH3COO]- 266.083401 182.1
[M+Na-2H]- 228.044216 144.0
[M]+ 207.06900142 138.1
[M]- 207.07009858 138.1
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