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]+ 208.07683 142.0
[M+Na]+ 230.05877 150.7
[M-H]- 206.06227 145.0
[M+NH4]+ 225.10337 160.8
[M+K]+ 246.03271 146.5
[M+H-H2O]+ 190.06681 134.6
[M+HCOO]- 252.06775 162.2
[M+CH3COO]- 266.08340 182.1
[M+Na-2H]- 228.04422 144.0
[M]+ 207.06900 138.1
[M]- 207.07010 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