CID 23904

Tris(3-chloro-2-hydroxypropyl)isocyanurate

Structural Information

Molecular Formula
C12H18Cl3N3O6
SMILES
C(C(CCl)O)N1C(=O)N(C(=O)N(C1=O)CC(CCl)O)CC(CCl)O
InChI
InChI=1S/C12H18Cl3N3O6/c13-1-7(19)4-16-10(22)17(5-8(20)2-14)12(24)18(11(16)23)6-9(21)3-15/h7-9,19-21H,1-6H2
InChIKey
IEWXGNMLWRMTTJ-UHFFFAOYSA-N
Compound name
1,3,5-tris(3-chloro-2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

405.02612 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.03340 180.2
[M+Na]+ 428.01534 190.6
[M+NH4]+ 423.05994 182.1
[M+K]+ 443.98928 187.8
[M-H]- 404.01884 175.3
[M+Na-2H]- 426.00079 180.0
[M]+ 405.02557 180.5
[M]- 405.02667 180.5
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

patents stripe