CID 870624

1-(4-bromophenyl)imidazolidine-2,4-dione

Structural Information

Molecular Formula
C9H7BrN2O2
SMILES
C1C(=O)NC(=O)N1C2=CC=C(C=C2)Br
InChI
InChI=1S/C9H7BrN2O2/c10-6-1-3-7(4-2-6)12-5-8(13)11-9(12)14/h1-4H,5H2,(H,11,13,14)
InChIKey
BEUPYBUWLGLKSM-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

253.96909 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.976366 145.4
[M+Na]+ 276.958308 157.8
[M-H]- 252.961814 151.4
[M+NH4]+ 272.002913 164.8
[M+K]+ 292.932248 146.1
[M+H-H2O]+ 236.966350 144.8
[M+HCOO]- 298.967291 163.9
[M+CH3COO]- 312.982941 186.5
[M+Na-2H]- 274.943756 150.1
[M]+ 253.96854142 161.4
[M]- 253.96963858 161.4
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

patents stripe