CID 39869458

1-(4-bromophenyl)imidazolidine-2,4,5-trione

Structural Information

Molecular Formula
C9H5BrN2O3
SMILES
C1=CC(=CC=C1N2C(=O)C(=O)NC2=O)Br
InChI
InChI=1S/C9H5BrN2O3/c10-5-1-3-6(4-2-5)12-8(14)7(13)11-9(12)15/h1-4H,(H,11,13,15)
InChIKey
AWJFJQBDSYCQBL-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)imidazolidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

267.94836 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.955636 146.0
[M+Na]+ 290.937578 159.3
[M-H]- 266.941084 152.3
[M+NH4]+ 285.982183 164.9
[M+K]+ 306.911518 147.5
[M+H-H2O]+ 250.945620 145.4
[M+HCOO]- 312.946561 164.7
[M+CH3COO]- 326.962211 188.9
[M+Na-2H]- 288.923026 150.2
[M]+ 267.94781142 162.9
[M]- 267.94890858 162.9
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