CID 3067579

1,2-benzisoselenazol-3(2h)-one, 2-(3-hydroxyphenyl)-

Structural Information

Molecular Formula
C13H9NO2Se
SMILES
C1=CC=C2C(=C1)C(=O)N([Se]2)C3=CC(=CC=C3)O
InChI
InChI=1S/C13H9NO2Se/c15-10-5-3-4-9(8-10)14-13(16)11-6-1-2-7-12(11)17-14/h1-8,15H
InChIKey
UVLJTNCCWYTHDP-UHFFFAOYSA-N
Compound name
2-(3-hydroxyphenyl)-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

290.97986 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.98714 158.0
[M+Na]+ 313.96908 169.0
[M-H]- 289.97258 163.9
[M+NH4]+ 309.01368 176.7
[M+K]+ 329.94302 163.5
[M+H-H2O]+ 273.97712 150.3
[M+HCOO]- 335.97806 181.5
[M+CH3COO]- 349.99371 171.2
[M+Na-2H]- 311.95453 163.5
[M]+ 290.97931 160.0
[M]- 290.98041 160.0
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

patents stripe