CID 207619

Brn 0834326

Structural Information

Molecular Formula
C12H12Cl2N2O4
SMILES
C1CN(C(=O)NC1=O)OCCOC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H12Cl2N2O4/c13-8-1-2-10(9(14)7-8)19-5-6-20-16-4-3-11(17)15-12(16)18/h1-2,7H,3-6H2,(H,15,17,18)
InChIKey
XHEGUHIUSYDUBE-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenoxy)ethoxy]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.01743 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.02471 164.1
[M+Na]+ 341.00665 172.8
[M-H]- 317.01015 165.9
[M+NH4]+ 336.05125 176.4
[M+K]+ 356.98059 167.3
[M+H-H2O]+ 301.01469 156.8
[M+HCOO]- 363.01563 172.1
[M+CH3COO]- 377.03128 199.5
[M+Na-2H]- 338.99210 166.0
[M]+ 318.01688 166.3
[M]- 318.01798 166.3
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.