CID 160240

34790-06-2

Structural Information

Molecular Formula
C11H12Cl2N2O
SMILES
C1CNC(=O)N(C1)CC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H12Cl2N2O/c12-9-3-2-8(6-10(9)13)7-15-5-1-4-14-11(15)16/h2-3,6H,1,4-5,7H2,(H,14,16)
InChIKey
FZZIZWYKUWSBAM-UHFFFAOYSA-N
Compound name
1-[(3,4-dichlorophenyl)methyl]-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

258.03265 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03993 154.0
[M+Na]+ 281.02187 162.4
[M-H]- 257.02537 155.3
[M+NH4]+ 276.06647 168.7
[M+K]+ 296.99581 155.7
[M+H-H2O]+ 241.02991 146.9
[M+HCOO]- 303.03085 161.4
[M+CH3COO]- 317.04650 164.4
[M+Na-2H]- 279.00732 156.7
[M]+ 258.03210 151.7
[M]- 258.03320 151.7
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.