CID 146141784

2304513-76-4

Structural Information

Molecular Formula
C13H11BrN2O3
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=C(C=C3)Br
InChI
InChI=1S/C13H11BrN2O3/c14-8-2-1-7-6-16(13(19)9(7)5-8)10-3-4-11(17)15-12(10)18/h1-2,5,10H,3-4,6H2,(H,15,17,18)
InChIKey
FDMZEIZGNKTOII-UHFFFAOYSA-N
Compound name
3-(5-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

321.9953 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.00258 164.8
[M+Na]+ 344.98452 176.3
[M-H]- 320.98802 171.1
[M+NH4]+ 340.02912 182.4
[M+K]+ 360.95846 164.0
[M+H-H2O]+ 304.99256 164.0
[M+HCOO]- 366.99350 179.2
[M+CH3COO]- 381.00915 199.9
[M+Na-2H]- 342.96997 166.8
[M]+ 321.99475 179.6
[M]- 321.99585 179.6
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