CID 728421

147723-13-5

Structural Information

Molecular Formula
C17H10ClFO4
SMILES
C1C2=C(C(=CC(=C2)Cl)C3=CC(=O)C4=C(O3)C=CC(=C4)F)OCO1
InChI
InChI=1S/C17H10ClFO4/c18-10-3-9-7-21-8-22-17(9)13(4-10)16-6-14(20)12-5-11(19)1-2-15(12)23-16/h1-6H,7-8H2
InChIKey
YSUUDDKTAXVRFF-UHFFFAOYSA-N
Compound name
2-(6-chloro-4H-1,3-benzodioxin-8-yl)-6-fluorochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.02518 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.03246 172.2
[M+Na]+ 355.01440 184.1
[M-H]- 331.01790 181.9
[M+NH4]+ 350.05900 185.1
[M+K]+ 370.98834 181.8
[M+H-H2O]+ 315.02244 163.6
[M+HCOO]- 377.02338 184.4
[M+CH3COO]- 391.03903 184.6
[M+Na-2H]- 352.99985 179.5
[M]+ 332.02463 177.1
[M]- 332.02573 177.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.