CID 16789139

1-(3-amino-4-fluorophenyl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C10H9FN2O2
SMILES
C1CC(=O)N(C1=O)C2=CC(=C(C=C2)F)N
InChI
InChI=1S/C10H9FN2O2/c11-7-2-1-6(5-8(7)12)13-9(14)3-4-10(13)15/h1-2,5H,3-4,12H2
InChIKey
YCZCNWWMOUAKFV-UHFFFAOYSA-N
Compound name
1-(3-amino-4-fluorophenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0648 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07208 141.1
[M+Na]+ 231.05402 150.6
[M-H]- 207.05752 145.5
[M+NH4]+ 226.09862 160.2
[M+K]+ 247.02796 147.1
[M+H-H2O]+ 191.06206 133.5
[M+HCOO]- 253.06300 163.5
[M+CH3COO]- 267.07865 187.2
[M+Na-2H]- 229.03947 142.8
[M]+ 208.06425 137.4
[M]- 208.06535 137.4
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.