CID 14001969

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

Structural Information

Molecular Formula
C10H8FNO2
SMILES
C1C(C(=O)NC1=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H8FNO2/c11-7-3-1-6(2-4-7)8-5-9(13)12-10(8)14/h1-4,8H,5H2,(H,12,13,14)
InChIKey
TXFBLEPUUKYKDS-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.05391 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06119 137.3
[M+Na]+ 216.04313 146.5
[M-H]- 192.04663 140.6
[M+NH4]+ 211.08773 156.7
[M+K]+ 232.01707 142.5
[M+H-H2O]+ 176.05117 130.2
[M+HCOO]- 238.05211 157.9
[M+CH3COO]- 252.06776 179.1
[M+Na-2H]- 214.02858 139.9
[M]+ 193.05336 133.1
[M]- 193.05446 133.1
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

No patent data available for this compound.