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]+ 268.95564 146.0
[M+Na]+ 290.93758 159.3
[M-H]- 266.94108 152.3
[M+NH4]+ 285.98218 164.9
[M+K]+ 306.91152 147.5
[M+H-H2O]+ 250.94562 145.4
[M+HCOO]- 312.94656 164.8
[M+CH3COO]- 326.96221 188.9
[M+Na-2H]- 288.92303 150.2
[M]+ 267.94781 162.9
[M]- 267.94891 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