CID 164890659

3-(5-bromo-7-fluoro-1-oxoisoindolin-2-yl)piperidine-2,6-dione

Structural Information

Molecular Formula
C13H10BrFN2O3
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C(=CC(=C3)Br)F
InChI
InChI=1S/C13H10BrFN2O3/c14-7-3-6-5-17(13(20)11(6)8(15)4-7)9-1-2-10(18)16-12(9)19/h3-4,9H,1-2,5H2,(H,16,18,19)
InChIKey
DKCNXXRPRGCRKQ-UHFFFAOYSA-N
Compound name
3-(6-bromo-4-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

339.98587 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.99315 168.8
[M+Na]+ 362.97509 181.2
[M-H]- 338.97859 174.1
[M+NH4]+ 358.01969 185.9
[M+K]+ 378.94903 168.3
[M+H-H2O]+ 322.98313 167.2
[M+HCOO]- 384.98407 182.1
[M+CH3COO]- 398.99972 203.6
[M+Na-2H]- 360.96054 169.5
[M]+ 339.98532 182.9
[M]- 339.98642 182.9
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