CID 368650

Nsc639766

Structural Information

Molecular Formula
C12H8N2OSe
SMILES
C1=CC=C2C(=C1)C(=O)N([Se]2)C3=CC=CC=N3
InChI
InChI=1S/C12H8N2OSe/c15-12-9-5-1-2-6-10(9)16-14(12)11-7-3-4-8-13-11/h1-8H
InChIKey
KRMWNFOZEGYJPA-UHFFFAOYSA-N
Compound name
2-pyridin-2-yl-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

27
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

patents stripe