CID 70876201

835616-61-0

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

1214
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 162.5
[M+Na]+ 299.04385 173.2
[M+NH4]+ 294.08845 167.7
[M+K]+ 315.01779 170.1
[M-H]- 275.04735 161.6
[M+Na-2H]- 297.02930 164.2
[M]+ 276.05408 163.2
[M]- 276.05518 163.2
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