CID 6909

Trichloroisocyanuric acid

Structural Information

Molecular Formula

C₃Cl₃N₃O₃

SMILES

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

InChI

InChI=1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11

InChIKey

YRIZYWQGELRKNT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 55
References: 25309
Patents: 230.90053 Da
Monoisotopic Mass: 1.2
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]+	231.90781	135.3
[M+Na]+	253.88975	151.3
[M+NH4]+	248.93435	141.5
[M+K]+	269.86369	145.6
[M-H]-	229.89325	133.9
[M+Na-2H]-	251.87520	141.1
[M]+	230.89998	137.8
[M]-	230.90108	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe