CID 6435390

Brn 5972345

Structural Information

Molecular Formula
C12H8ClN2O3Se
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)N(C(=N2)[Se])CC(=O)O)Cl
InChI
InChI=1S/C12H8ClN2O3Se/c13-8-3-1-7(2-4-8)5-9-11(18)15(6-10(16)17)12(19)14-9/h1-5H,6H2,(H,16,17)/b9-5-
InChIKey
OFVMDPDPIQQGJF-UITAMQMPSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.93887 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.94615 169.8
[M+Na]+ 365.92809 182.3
[M+NH4]+ 360.97269 175.5
[M+K]+ 381.90203 177.8
[M-H]- 341.93159 170.2
[M+Na-2H]- 363.91354 173.8
[M]+ 342.93832 171.6
[M]- 342.93942 171.6
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.