CID 70876201

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C13H9FN2O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)F
InChI
InChI=1S/C13H9FN2O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9H,3-4H2,(H,15,17,18)
InChIKey
MPQLCQKBYRSPNA-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1143
Patents

276.05463 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.061906 158.0
[M+Na]+ 299.043848 168.1
[M-H]- 275.047354 160.9
[M+NH4]+ 294.088453 173.7
[M+K]+ 315.017788 162.9
[M+H-H2O]+ 259.051890 149.9
[M+HCOO]- 321.052831 173.7
[M+CH3COO]- 335.068481 196.2
[M+Na-2H]- 297.029296 157.9
[M]+ 276.05408142 154.1
[M]- 276.05517858 154.1
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