CID 6448132

Brn 5058864

Structural Information

Molecular Formula
C11H9NO4SSe
SMILES
CS(=O)(=O)C1=CC=C(C=C1)/C=C/2\C(=O)NC(=O)[Se]2
InChI
InChI=1S/C11H9NO4SSe/c1-17(15,16)8-4-2-7(3-5-8)6-9-10(13)12-11(14)18-9/h2-6H,1H3,(H,12,13,14)/b9-6+
InChIKey
LISUIFCZBACHLC-RMKNXTFCSA-N
Compound name
(5E)-5-[(4-methylsulfonylphenyl)methylidene]-1,3-selenazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.94174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.94902 169.6
[M+Na]+ 353.93096 178.4
[M-H]- 329.93446 173.8
[M+NH4]+ 348.97556 185.9
[M+K]+ 369.90490 173.1
[M+H-H2O]+ 313.93900 163.2
[M+HCOO]- 375.93994 184.2
[M+CH3COO]- 389.95559 190.2
[M+Na-2H]- 351.91641 168.7
[M]+ 330.94119 169.8
[M]- 330.94229 169.8
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.