CID 167737140

5-bromo-2-(2,5-dioxopyrrolidin-3-yl)-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C12H7BrN2O4
SMILES
C1C(C(=O)NC1=O)N2C(=O)C3=C(C2=O)C=C(C=C3)Br
InChI
InChI=1S/C12H7BrN2O4/c13-5-1-2-6-7(3-5)12(19)15(11(6)18)8-4-9(16)14-10(8)17/h1-3,8H,4H2,(H,14,16,17)
InChIKey
IJBDEAUOFIVQBX-UHFFFAOYSA-N
Compound name
5-bromo-2-(2,5-dioxopyrrolidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.95892 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.96620 171.0
[M+Na]+ 344.94814 172.2
[M+NH4]+ 339.99274 173.2
[M+K]+ 360.92208 176.3
[M-H]- 320.95164 169.5
[M+Na-2H]- 342.93359 169.3
[M]+ 321.95837 169.1
[M]- 321.95947 169.1
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

No patent data available for this compound.