CID 6448136

Brn 5035431

Structural Information

Molecular Formula
C10H6BrNO3Se
SMILES
C1=CC(=C(C=C1Br)/C=C/2\C(=O)NC(=O)[Se]2)O
InChI
InChI=1S/C10H6BrNO3Se/c11-6-1-2-7(13)5(3-6)4-8-9(14)12-10(15)16-8/h1-4,13H,(H,12,14,15)/b8-4+
InChIKey
ZKTICQRXDCWPLM-XBXARRHUSA-N
Compound name
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.86963 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.87691 165.0
[M+Na]+ 369.85885 176.6
[M-H]- 345.86235 170.4
[M+NH4]+ 364.90345 183.4
[M+K]+ 385.83279 163.3
[M+H-H2O]+ 329.86689 164.3
[M+HCOO]- 391.86783 182.1
[M+CH3COO]- 405.88348 191.2
[M+Na-2H]- 367.84430 166.4
[M]+ 346.86908 180.2
[M]- 346.87018 180.2
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.