CID 192912

Dibromoisocyanuric acid

Structural Information

Molecular Formula

C₃HBr₂N₃O₃

SMILES

C1(=O)NC(=O)N(C(=O)N1Br)Br

InChI

InChI=1S/C3HBr2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)

InChIKey

HHBCEKAWSILOOP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 3126
Patents: 284.83847 Da
Monoisotopic Mass: 0.8
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]+	285.84575	117.7
[M+Na]+	307.82769	132.0
[M-H]-	283.83119	121.6
[M+NH4]+	302.87229	134.2
[M+K]+	323.80163	116.4
[M+H-H2O]+	267.83573	125.7
[M+HCOO]-	329.83667	132.9
[M+CH3COO]-	343.85232	197.1
[M+Na-2H]-	305.81314	127.3
[M]+	284.83792	152.6
[M]-	284.83902	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe