CID 84798

15114-35-9

Structural Information

Molecular Formula

C₃H₂BrN₃O₃

SMILES

C1(=O)NC(=O)N(C(=O)N1)Br

InChI

InChI=1S/C3H2BrN3O3/c4-7-2(9)5-1(8)6-3(7)10/h(H2,5,6,8,9,10)

InChIKey

MWSLLEWOGABAFW-UHFFFAOYSA-N

Compound name

1-bromo-1,3,5-triazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 285
Patents: 206.92795 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	207.93523	122.9
[M+Na]+	229.91717	138.1
[M-H]-	205.92067	124.1
[M+NH4]+	224.96177	140.7
[M+K]+	245.89111	126.0
[M+H-H2O]+	189.92521	122.6
[M+HCOO]-	251.92615	141.4
[M+CH3COO]-	265.94180	174.9
[M+Na-2H]-	227.90262	132.4
[M]+	206.92740	140.4
[M]-	206.92850	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe