CID 131999631

2093536-12-8

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

265
Patents

335.97458 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.981856 165.2
[M+Na]+ 358.963798 177.6
[M-H]- 334.967304 171.9
[M+NH4]+ 354.008403 182.3
[M+K]+ 374.937738 165.3
[M+H-H2O]+ 318.971840 164.5
[M+HCOO]- 380.972781 179.9
[M+CH3COO]- 394.988431 202.6
[M+Na-2H]- 356.949246 166.9
[M]+ 335.97403142 181.1
[M]- 335.97512858 181.1
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

patents stripe