CID 6447523

Brn 5010644

Structural Information

Molecular Formula
C12H9NO2Se
SMILES
C1=CC=C(C=C1)/C=C/C=C/2\C(=O)NC(=O)[Se]2
InChI
InChI=1S/C12H9NO2Se/c14-11-10(16-12(15)13-11)8-4-7-9-5-2-1-3-6-9/h1-8H,(H,13,14,15)/b7-4+,10-8+
InChIKey
AGCVZGCPEOCHTJ-DAAQNPAKSA-N
Compound name
(5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-selenazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.97986 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.98714 159.4
[M+Na]+ 301.96908 170.6
[M+NH4]+ 297.01368 166.1
[M+K]+ 317.94302 164.8
[M-H]- 277.97258 160.7
[M+Na-2H]- 299.95453 163.9
[M]+ 278.97931 161.0
[M]- 278.98041 161.0
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

No patent data available for this compound.