CID 262408

57270-78-7

Structural Information

Molecular Formula
C11H7ClN2O3
SMILES
C1=CC=C(C(=C1)C=C2C(=O)NC(=O)NC2=O)Cl
InChI
InChI=1S/C11H7ClN2O3/c12-8-4-2-1-3-6(8)5-7-9(15)13-11(17)14-10(7)16/h1-5H,(H2,13,14,15,16,17)
InChIKey
FMAIJMYTMYNJHJ-UHFFFAOYSA-N
Compound name
5-[(2-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

250.01453 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.02181 151.9
[M+Na]+ 273.00375 161.4
[M-H]- 249.00725 153.4
[M+NH4]+ 268.04835 165.9
[M+K]+ 288.97769 154.4
[M+H-H2O]+ 233.01179 145.1
[M+HCOO]- 295.01273 164.1
[M+CH3COO]- 309.02838 185.4
[M+Na-2H]- 270.98920 154.4
[M]+ 250.01398 148.0
[M]- 250.01508 148.0
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