CID 6447519

Brn 5264307

Structural Information

Molecular Formula
C10H6ClNO2Se
SMILES
C1=CC(=CC=C1/C=C/2\C(=O)NC(=O)[Se]2)Cl
InChI
InChI=1S/C10H6ClNO2Se/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5+
InChIKey
YYJSASYBDIFOIZ-VMPITWQZSA-N
Compound name
(5E)-5-[(4-chlorophenyl)methylidene]-1,3-selenazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.92523 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.93251 158.0
[M+Na]+ 309.91445 167.3
[M-H]- 285.91795 161.8
[M+NH4]+ 304.95905 176.5
[M+K]+ 325.88839 160.8
[M+H-H2O]+ 269.92249 151.5
[M+HCOO]- 331.92343 174.1
[M+CH3COO]- 345.93908 184.1
[M+Na-2H]- 307.89990 158.7
[M]+ 286.92468 156.4
[M]- 286.92578 156.4
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

No patent data available for this compound.