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

1238
Patents

276.05463 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06191 158.0
[M+Na]+ 299.04385 168.1
[M-H]- 275.04735 160.9
[M+NH4]+ 294.08845 173.7
[M+K]+ 315.01779 162.9
[M+H-H2O]+ 259.05189 149.9
[M+HCOO]- 321.05283 173.7
[M+CH3COO]- 335.06848 196.2
[M+Na-2H]- 297.02930 157.9
[M]+ 276.05408 154.1
[M]- 276.05518 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