CID 17922

Chloroisocyanuric acid

Structural Information

Molecular Formula

C₃H₂ClN₃O₃

SMILES

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

InChI

InChI=1S/C3H2ClN3O3/c4-7-2(9)5-1(8)6-3(7)10/h(H2,5,6,8,9,10)

InChIKey

ISAOUZVKYLHALD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1496
Patents: 162.97847 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]+	163.98575	122.9
[M+Na]+	185.96769	136.2
[M-H]-	161.97119	121.1
[M+NH4]+	181.01229	139.5
[M+K]+	201.94163	131.3
[M+H-H2O]+	145.97573	117.2
[M+HCOO]-	207.97667	138.9
[M+CH3COO]-	221.99232	167.7
[M+Na-2H]-	183.95314	130.5
[M]+	162.97792	123.4
[M]-	162.97902	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe