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
9
Annotation Hits

55
References

29205
Patents

230.90053 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.90781 130.2
[M+Na]+ 253.88975 145.5
[M-H]- 229.89325 129.8
[M+NH4]+ 248.93435 146.2
[M+K]+ 269.86369 140.9
[M+H-H2O]+ 213.89779 125.3
[M+HCOO]- 275.89873 138.3
[M+CH3COO]- 289.91438 185.6
[M+Na-2H]- 251.87520 135.6
[M]+ 230.89998 135.5
[M]- 230.90108 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.