CID 8395

Efloxate

Structural Information

Molecular Formula
C19H16O5
SMILES
CCOC(=O)COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C19H16O5/c1-2-22-19(21)12-23-14-8-9-15-16(20)11-17(24-18(15)10-14)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKey
ZVXBAHLOGZCFTP-UHFFFAOYSA-N
Compound name
ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

1589
Patents

324.09976 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.107036 172.8
[M+Na]+ 347.088978 181.3
[M-H]- 323.092484 181.4
[M+NH4]+ 342.133583 186.4
[M+K]+ 363.062918 179.2
[M+H-H2O]+ 307.097020 164.0
[M+HCOO]- 369.097961 194.6
[M+CH3COO]- 383.113611 207.5
[M+Na-2H]- 345.074426 178.8
[M]+ 324.09921142 179.0
[M]- 324.10030858 179.0
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

patents stripe