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
8
Annotation Hits

55
References

27185
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

literature stripe

Patent stripe

patents stripe