CID 162904

60050-33-1

Structural Information

Molecular Formula
C11H10FNO2
SMILES
CN1C(=O)CC(C1=O)C2=CC(=CC=C2)F
InChI
InChI=1S/C11H10FNO2/c1-13-10(14)6-9(11(13)15)7-3-2-4-8(12)5-7/h2-5,9H,6H2,1H3
InChIKey
YZEWPKSQHDTNSU-UHFFFAOYSA-N
Compound name
3-(3-fluorophenyl)-1-methylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

0
Patents

207.06955 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07683 140.6
[M+Na]+ 230.05877 150.7
[M-H]- 206.06227 145.5
[M+NH4]+ 225.10337 160.5
[M+K]+ 246.03271 147.5
[M+H-H2O]+ 190.06681 133.3
[M+HCOO]- 252.06775 162.4
[M+CH3COO]- 266.08340 185.9
[M+Na-2H]- 228.04422 142.5
[M]+ 207.06900 139.1
[M]- 207.07010 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.