CID 3194

Ebselen

Structural Information

Molecular Formula
C13H9NOSe
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2
InChI
InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
InChIKey
DYEFUKCXAQOFHX-UHFFFAOYSA-N
Compound name
2-phenyl-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

934
References

18149
Patents

274.98495 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.99223 154.5
[M+Na]+ 297.97417 165.2
[M-H]- 273.97767 161.3
[M+NH4]+ 293.01877 174.3
[M+K]+ 313.94811 159.9
[M+H-H2O]+ 257.98221 146.4
[M+HCOO]- 319.98315 179.3
[M+CH3COO]- 333.99880 168.2
[M+Na-2H]- 295.95962 161.1
[M]+ 274.98440 156.5
[M]- 274.98550 156.5
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