CID 3012951

2-(4-nitro-2-pyridyl)-1,2-benzoselenazol-3-one

Structural Information

Molecular Formula
C12H7N3O3Se
SMILES
C1=CC=C2C(=C1)C(=O)N([Se]2)C3=NC=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H7N3O3Se/c16-12-9-3-1-2-4-10(9)19-14(12)11-7-8(15(17)18)5-6-13-11/h1-7H
InChIKey
NIFHLDOOIYODGO-UHFFFAOYSA-N
Compound name
2-(4-nitropyridin-2-yl)-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.96527 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.97255 164.1
[M+Na]+ 343.95449 173.7
[M-H]- 319.95799 170.0
[M+NH4]+ 338.99909 179.5
[M+K]+ 359.92843 165.0
[M+H-H2O]+ 303.96253 159.3
[M+HCOO]- 365.96347 188.7
[M+CH3COO]- 379.97912 190.2
[M+Na-2H]- 341.93994 172.3
[M]+ 320.96472 165.0
[M]- 320.96582 165.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.