CID 379572

98329-02-3

Structural Information

Molecular Formula
C21H9Cl6N3O3
SMILES
C1=CC(=C(C=C1N2C(=O)N(C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)C4=CC(=C(C=C4)Cl)Cl)Cl)Cl
InChI
InChI=1S/C21H9Cl6N3O3/c22-13-4-1-10(7-16(13)25)28-19(31)29(11-2-5-14(23)17(26)8-11)21(33)30(20(28)32)12-3-6-15(24)18(27)9-12/h1-9H
InChIKey
FXOQGHKORJYZFD-UHFFFAOYSA-N
Compound name
1,3,5-tris(3,4-dichlorophenyl)-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

560.8775 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.88478 211.0
[M+Na]+ 583.86672 222.6
[M-H]- 559.87022 212.0
[M+NH4]+ 578.91132 212.9
[M+K]+ 599.84066 218.0
[M+H-H2O]+ 543.87476 199.9
[M+HCOO]- 605.87570 200.1
[M+CH3COO]- 619.89135 215.2
[M+Na-2H]- 581.85217 205.1
[M]+ 560.87695 213.6
[M]- 560.87805 213.6
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