CID 288035

3-bromo-5,5-dimethylhydantoin

Structural Information

Molecular Formula
C5H7BrN2O2
SMILES
CC1(C(=O)N(C(=O)N1)Br)C
InChI
InChI=1S/C5H7BrN2O2/c1-5(2)3(9)8(6)4(10)7-5/h1-2H3,(H,7,10)
InChIKey
LYXHPJRJBIANDD-UHFFFAOYSA-N
Compound name
3-bromo-5,5-dimethylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

205.96909 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.976366 130.2
[M+Na]+ 228.958308 144.1
[M-H]- 204.961814 133.5
[M+NH4]+ 224.002913 153.7
[M+K]+ 244.932248 133.6
[M+H-H2O]+ 188.966350 131.5
[M+HCOO]- 250.967291 148.5
[M+CH3COO]- 264.982941 179.0
[M+Na-2H]- 226.943756 136.4
[M]+ 205.96854142 147.4
[M]- 205.96963858 147.4
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