CID 70700151

Dtxsid90743116

Structural Information

Molecular Formula
C3H4BrN3O2
SMILES
C1(NC(=O)NC(=O)N1)Br
InChI
InChI=1S/C3H4BrN3O2/c4-1-5-2(8)7-3(9)6-1/h1H,(H3,5,6,7,8,9)
InChIKey
XPJFDRRZPWQJLW-UHFFFAOYSA-N
Compound name
6-bromo-1,3,5-triazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

192.94868 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.95596 129.7
[M+Na]+ 215.93790 140.7
[M-H]- 191.94140 128.3
[M+NH4]+ 210.98250 146.9
[M+K]+ 231.91184 128.4
[M+H-H2O]+ 175.94594 129.4
[M+HCOO]- 237.94688 142.3
[M+CH3COO]- 251.96253 171.1
[M+Na-2H]- 213.92335 136.3
[M]+ 192.94813 140.4
[M]- 192.94923 140.4
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

No patent data available for this compound.