CID 131999631

4-bromo-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione

Structural Information

Molecular Formula
C13H9BrN2O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)Br
InChI
InChI=1S/C13H9BrN2O4/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
NUICQRZENMKDBW-UHFFFAOYSA-N
Compound name
4-bromo-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

274
Patents

335.97458 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.98186 170.0
[M+Na]+ 358.96380 172.0
[M+NH4]+ 354.00840 172.4
[M+K]+ 374.93774 174.4
[M-H]- 334.96730 169.1
[M+Na-2H]- 356.94925 169.2
[M]+ 335.97403 168.4
[M]- 335.97513 168.4
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