CID 11859051

1h-isoindole-1,3(2h)-dione, 2-(2,6-dioxo-3-piperidinyl)-4-fluoro-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1351
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

literature stripe

Patent stripe

patents stripe