CID 797546

7-ethoxy-3-(4-fluorophenoxy)-2,8-dimethyl-4h-chromen-4-one

Structural Information

Molecular Formula
C19H17FO4
SMILES
CCOC1=C(C2=C(C=C1)C(=O)C(=C(O2)C)OC3=CC=C(C=C3)F)C
InChI
InChI=1S/C19H17FO4/c1-4-22-16-10-9-15-17(21)19(12(3)23-18(15)11(16)2)24-14-7-5-13(20)6-8-14/h5-10H,4H2,1-3H3
InChIKey
GISBEBMFOCHETI-UHFFFAOYSA-N
Compound name
7-ethoxy-3-(4-fluorophenoxy)-2,8-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.11108 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11836 174.3
[M+Na]+ 351.10030 185.7
[M-H]- 327.10380 182.6
[M+NH4]+ 346.14490 188.8
[M+K]+ 367.07424 182.8
[M+H-H2O]+ 311.10834 165.0
[M+HCOO]- 373.10928 195.5
[M+CH3COO]- 387.12493 212.2
[M+Na-2H]- 349.08575 178.5
[M]+ 328.11053 180.7
[M]- 328.11163 180.7
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.