CID 31335

3-bromo-1-chloro-5,5-dimethylhydantoin

Structural Information

Molecular Formula
C5H6BrClN2O2
SMILES
CC1(C(=O)N(C(=O)N1Cl)Br)C
InChI
InChI=1S/C5H6BrClN2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3
InChIKey
PQRDTUFVDILINV-UHFFFAOYSA-N
Compound name
3-bromo-1-chloro-5,5-dimethylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

3155
Patents

239.93011 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.937386 132.3
[M+Na]+ 262.919328 148.4
[M-H]- 238.922834 137.2
[M+NH4]+ 257.963933 156.3
[M+K]+ 278.893268 136.8
[M+H-H2O]+ 222.927370 134.3
[M+HCOO]- 284.928311 147.7
[M+CH3COO]- 298.943961 186.1
[M+Na-2H]- 260.904776 138.2
[M]+ 239.92956142 153.1
[M]- 239.93065858 153.1
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