CID 5746985

1,2-benzisoselenazol-3(2h)-one, 6-hydroxy-2-phenyl-

Structural Information

Molecular Formula
C13H9NO2Se
SMILES
C1=CC=C(C=C1)N2C(=O)C3=C([Se]2)C=C(C=C3)O
InChI
InChI=1S/C13H9NO2Se/c15-10-6-7-11-12(8-10)17-14(13(11)16)9-4-2-1-3-5-9/h1-8,15H
InChIKey
IPMOSNBKBPNMRR-UHFFFAOYSA-N
Compound name
6-hydroxy-2-phenyl-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

290.97986 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.98714 156.9
[M+Na]+ 313.96908 172.9
[M+NH4]+ 309.01368 165.7
[M+K]+ 329.94302 166.3
[M-H]- 289.97258 160.9
[M+Na-2H]- 311.95453 165.5
[M]+ 290.97931 160.4
[M]- 290.98041 160.4
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

patents stripe