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]+ 208.076826 140.6
[M+Na]+ 230.058768 150.7
[M-H]- 206.062274 145.5
[M+NH4]+ 225.103373 160.5
[M+K]+ 246.032708 147.5
[M+H-H2O]+ 190.066810 133.3
[M+HCOO]- 252.067751 162.4
[M+CH3COO]- 266.083401 185.9
[M+Na-2H]- 228.044216 142.5
[M]+ 207.06900142 139.1
[M]- 207.07009858 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.