CID 50989418

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

Structural Information

Molecular Formula
C10H8FNO2
SMILES
C1C(C(=O)NC1=O)C2=CC=CC=C2F
InChI
InChI=1S/C10H8FNO2/c11-8-4-2-1-3-6(8)7-5-9(13)12-10(7)14/h1-4,7H,5H2,(H,12,13,14)
InChIKey
PPSZALYDZSHGKC-UHFFFAOYSA-N
Compound name
3-(2-fluorophenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

193.05391 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.061186 137.3
[M+Na]+ 216.043128 146.5
[M-H]- 192.046634 140.6
[M+NH4]+ 211.087733 156.7
[M+K]+ 232.017068 142.5
[M+H-H2O]+ 176.051170 130.2
[M+HCOO]- 238.052111 157.9
[M+CH3COO]- 252.067761 179.1
[M+Na-2H]- 214.028576 139.9
[M]+ 193.05336142 133.1
[M]- 193.05445858 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

patents stripe