CID 3042606

60050-35-3

Structural Information

Molecular Formula
C10H7Br2NO2
SMILES
C1C(C(=O)NC1=O)C2=CC(=CC(=C2)Br)Br
InChI
InChI=1S/C10H7Br2NO2/c11-6-1-5(2-7(12)3-6)8-4-9(14)13-10(8)15/h1-3,8H,4H2,(H,13,14,15)
InChIKey
WWFRVMGIVMMUSL-UHFFFAOYSA-N
Compound name
3-(3,5-dibromophenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.88434 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.89162 149.6
[M+Na]+ 353.87356 161.0
[M-H]- 329.87706 157.1
[M+NH4]+ 348.91816 167.8
[M+K]+ 369.84750 145.2
[M+H-H2O]+ 313.88160 157.7
[M+HCOO]- 375.88254 164.0
[M+CH3COO]- 389.89819 204.7
[M+Na-2H]- 351.85901 153.4
[M]+ 330.88379 181.5
[M]- 330.88489 181.5
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.