CID 368649

Nsc639764

Structural Information

Molecular Formula
C13H8INOSe
SMILES
C1=CC=C2C(=C1)C(=O)N([Se]2)C3=CC=C(C=C3)I
InChI
InChI=1S/C13H8INOSe/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17-15/h1-8H
InChIKey
LXZVZLMGMTUYMS-UHFFFAOYSA-N
Compound name
2-(4-iodophenyl)-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.8816 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.88888 161.9
[M+Na]+ 423.87082 165.9
[M-H]- 399.87432 161.3
[M+NH4]+ 418.91542 176.2
[M+K]+ 439.84476 166.4
[M+H-H2O]+ 383.87886 150.4
[M+HCOO]- 445.87980 181.3
[M+CH3COO]- 459.89545 171.1
[M+Na-2H]- 421.85627 156.1
[M]+ 400.88105 161.6
[M]- 400.88215 161.6
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

No patent data available for this compound.