CID 135742116

3-(4-fluoro-1-oxoisoindolin-2-yl)piperidine-2,6-dione

Structural Information

Molecular Formula
C13H11FN2O3
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3F
InChI
InChI=1S/C13H11FN2O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6H2,(H,15,17,18)
InChIKey
RSDXKDVFVKDIFY-UHFFFAOYSA-N
Compound name
3-(7-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

262.07538 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08266 156.6
[M+Na]+ 285.06460 165.7
[M-H]- 261.06810 159.1
[M+NH4]+ 280.10920 172.8
[M+K]+ 301.03854 160.4
[M+H-H2O]+ 245.07264 148.2
[M+HCOO]- 307.07358 172.0
[M+CH3COO]- 321.08923 193.3
[M+Na-2H]- 283.05005 156.9
[M]+ 262.07483 151.5
[M]- 262.07593 151.5
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