CID 374556

Nsc652531

Structural Information

Molecular Formula
C18H10O4Se
SMILES
C1=CC=C2C(=C1)C(=O)C(=CO2)[Se]C3=COC4=CC=CC=C4C3=O
InChI
InChI=1S/C18H10O4Se/c19-17-11-5-1-3-7-13(11)21-9-15(17)23-16-10-22-14-8-4-2-6-12(14)18(16)20/h1-10H
InChIKey
OILWFUALSBCTIE-UHFFFAOYSA-N
Compound name
3-(4-oxochromen-3-yl)selanylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.97443 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.98171 177.9
[M+Na]+ 392.96365 189.8
[M-H]- 368.96715 188.6
[M+NH4]+ 388.00825 191.6
[M+K]+ 408.93759 186.7
[M+H-H2O]+ 352.97169 168.3
[M+HCOO]- 414.97263 199.8
[M+CH3COO]- 428.98828 190.7
[M+Na-2H]- 390.94910 187.2
[M]+ 369.97388 184.3
[M]- 369.97498 184.3
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.