CID 6448127

Brn 5277726

Structural Information

Molecular Formula
C10H6N2O4Se
SMILES
C1=CC(=CC=C1/C=C/2\C(=O)NC(=O)[Se]2)[N+](=O)[O-]
InChI
InChI=1S/C10H6N2O4Se/c13-9-8(17-10(14)11-9)5-6-1-3-7(4-2-6)12(15)16/h1-5H,(H,11,13,14)/b8-5+
InChIKey
GGCUZUBCEQCNNB-VMPITWQZSA-N
Compound name
(5E)-5-[(4-nitrophenyl)methylidene]-1,3-selenazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.94928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.95656 160.4
[M+Na]+ 320.93850 167.0
[M-H]- 296.94200 164.3
[M+NH4]+ 315.98310 176.2
[M+K]+ 336.91244 158.6
[M+H-H2O]+ 280.94654 157.4
[M+HCOO]- 342.94748 182.1
[M+CH3COO]- 356.96313 181.2
[M+Na-2H]- 318.92395 163.5
[M]+ 297.94873 155.3
[M]- 297.94983 155.3
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.