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 169.1
[M+Na]+ 346.95416 175.2
[M-H]- 322.95766 172.8
[M+NH4]+ 341.99876 183.9
[M+K]+ 362.92810 165.8
[M+H-H2O]+ 306.96220 165.9
[M+HCOO]- 368.96314 190.4
[M+CH3COO]- 382.97879 185.7
[M+Na-2H]- 344.93961 171.2
[M]+ 323.96439 164.0
[M]- 323.96549 164.0
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.