CID 6448128

Brn 5065107

Structural Information

Molecular Formula
C12H8N2O4Se
SMILES
C1=CC=C(C(=C1)/C=C/C=C\2/C(=O)NC(=O)[Se]2)[N+](=O)[O-]
InChI
InChI=1S/C12H8N2O4Se/c15-11-10(19-12(16)13-11)7-3-5-8-4-1-2-6-9(8)14(17)18/h1-7H,(H,13,15,16)/b5-3+,10-7-
InChIKey
VMKDKFMXNOTCHQ-JEFLAVHQSA-N
Compound name
(5Z)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-selenazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.96494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.97222 166.7
[M+Na]+ 346.95416 177.6
[M+NH4]+ 341.99876 172.0
[M+K]+ 362.92810 175.7
[M-H]- 322.95766 168.4
[M+Na-2H]- 344.93961 169.8
[M]+ 323.96439 168.1
[M]- 323.96549 168.1
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.