CID 16726

Dichloroisocyanuric acid

Structural Information

Molecular Formula

C₃HCl₂N₃O₃

SMILES

C1(=O)NC(=O)N(C(=O)N1Cl)Cl

InChI

InChI=1S/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)

InChIKey

CEJLBZWIKQJOAT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 161
References: 38371
Patents: 196.9395 Da
Monoisotopic Mass: 0.4
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]+	197.946776	126.0
[M+Na]+	219.928718	140.6
[M-H]-	195.932224	125.2
[M+NH4]+	214.973323	142.6
[M+K]+	235.902658	135.6
[M+H-H2O]+	179.936760	120.8
[M+HCOO]-	241.937701	138.2
[M+CH3COO]-	255.953351	176.3
[M+Na-2H]-	217.914166	132.7
[M]+	196.93895142	129.4
[M]-	196.94004858	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe