CID 133625

3-(3,5-dibromophenyl)-1-methylpyrrolidine-2,5-dione

Structural Information

Molecular Formula
C11H9Br2NO2
SMILES
CN1C(=O)CC(C1=O)C2=CC(=CC(=C2)Br)Br
InChI
InChI=1S/C11H9Br2NO2/c1-14-10(15)5-9(11(14)16)6-2-7(12)4-8(13)3-6/h2-4,9H,5H2,1H3
InChIKey
TWHLAMOBWLHCHA-UHFFFAOYSA-N
Compound name
3-(3,5-dibromophenyl)-1-methylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

344.9 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.90728 162.7
[M+Na]+ 367.88922 157.6
[M+NH4]+ 362.93382 164.0
[M+K]+ 383.86316 164.6
[M-H]- 343.89272 163.4
[M+Na-2H]- 365.87467 162.9
[M]+ 344.89945 161.0
[M]- 344.90055 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.