CID 206672

Brn 0828100

Structural Information

Molecular Formula
C12H12Cl2N2O3
SMILES
CC(C1=CC(=C(C=C1)Cl)Cl)ON2CCC(=O)NC2=O
InChI
InChI=1S/C12H12Cl2N2O3/c1-7(8-2-3-9(13)10(14)6-8)19-16-5-4-11(17)15-12(16)18/h2-3,6-7H,4-5H2,1H3,(H,15,17,18)
InChIKey
LXXVPINUMKJMMX-UHFFFAOYSA-N
Compound name
1-[1-(3,4-dichlorophenyl)ethoxy]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0225 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.02978 161.9
[M+Na]+ 325.01172 175.6
[M+NH4]+ 320.05632 168.6
[M+K]+ 340.98566 169.2
[M-H]- 301.01522 163.2
[M+Na-2H]- 322.99717 167.2
[M]+ 302.02195 164.6
[M]- 302.02305 164.6
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

No patent data available for this compound.