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 171.4
[M+Na]+ 365.92809 181.2
[M-H]- 341.93159 174.3
[M+NH4]+ 360.97269 186.4
[M+K]+ 381.90203 175.1
[M+H-H2O]+ 325.93613 163.7
[M+HCOO]- 387.93707 186.2
[M+CH3COO]- 401.95272 196.7
[M+Na-2H]- 363.91354 170.3
[M]+ 342.93832 173.6
[M]- 342.93942 173.6
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.