CID 3067585

1,2-benzisoselenazol-3(2h)-one, 5-nitro-2-phenyl-

Structural Information

Molecular Formula
C13H8N2O3Se
SMILES
C1=CC=C(C=C1)N2C(=O)C3=C([Se]2)C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C13H8N2O3Se/c16-13-11-8-10(15(17)18)6-7-12(11)19-14(13)9-4-2-1-3-5-9/h1-8H
InChIKey
YKQUERGIJKEBDZ-UHFFFAOYSA-N
Compound name
5-nitro-2-phenyl-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

319.97 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.97728 161.6
[M+Na]+ 342.95922 177.9
[M+NH4]+ 338.00382 170.1
[M+K]+ 358.93316 174.1
[M-H]- 318.96272 167.0
[M+Na-2H]- 340.94467 170.1
[M]+ 319.96945 165.4
[M]- 319.97055 165.4
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