CID 200610

2319-45-1

Structural Information

Molecular Formula
C11H10BrNO2
SMILES
CN1C(=O)CC(C1=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H10BrNO2/c1-13-10(14)6-9(11(13)15)7-2-4-8(12)5-3-7/h2-5,9H,6H2,1H3
InChIKey
PGMFLJGIWUORFE-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1-methylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.9895 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.99678 149.9
[M+Na]+ 289.97872 162.8
[M-H]- 265.98222 158.5
[M+NH4]+ 285.02332 171.0
[M+K]+ 305.95266 151.6
[M+H-H2O]+ 249.98676 149.7
[M+HCOO]- 311.98770 170.3
[M+CH3COO]- 326.00335 193.0
[M+Na-2H]- 287.96417 153.4
[M]+ 266.98895 168.1
[M]- 266.99005 168.1
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.