CID 3012958

2-phenyl-7-azabenzisoselenazol-3(2h)-one

Structural Information

Molecular Formula
C12H8N2OSe
SMILES
C1=CC=C(C=C1)N2C(=O)C3=C([Se]2)N=CC=C3
InChI
InChI=1S/C12H8N2OSe/c15-12-10-7-4-8-13-11(10)16-14(12)9-5-2-1-3-6-9/h1-8H
InChIKey
RTVPSJVBQCSGOU-UHFFFAOYSA-N
Compound name
2-phenyl-[1,2]selenazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

275.9802 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.98748 154.5
[M+Na]+ 298.96942 165.7
[M-H]- 274.97292 160.1
[M+NH4]+ 294.01402 172.9
[M+K]+ 314.94336 160.4
[M+H-H2O]+ 258.97746 145.6
[M+HCOO]- 320.97840 178.4
[M+CH3COO]- 334.99405 167.9
[M+Na-2H]- 296.95487 161.7
[M]+ 275.97965 156.7
[M]- 275.98075 156.7
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.