CID 3067586

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

Structural Information

Molecular Formula
C13H8ClNOSe
SMILES
C1=CC=C(C=C1)N2C(=O)C3=C([Se]2)C=CC(=C3)Cl
InChI
InChI=1S/C13H8ClNOSe/c14-9-6-7-12-11(8-9)13(16)15(17-12)10-4-2-1-3-5-10/h1-8H
InChIKey
DFJATHACFJXJCK-UHFFFAOYSA-N
Compound name
5-chloro-2-phenyl-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

308.94595 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.95323 159.0
[M+Na]+ 331.93517 177.0
[M+NH4]+ 326.97977 169.1
[M+K]+ 347.90911 168.6
[M-H]- 307.93867 164.1
[M+Na-2H]- 329.92062 168.8
[M]+ 308.94540 163.6
[M]- 308.94650 163.6
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