CID 853071

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

Structural Information

Molecular Formula
C18H15FO4
SMILES
CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)F)C)OC
InChI
InChI=1S/C18H15FO4/c1-10-15(21-3)9-8-14-16(20)18(11(2)22-17(10)14)23-13-6-4-12(19)5-7-13/h4-9H,1-3H3
InChIKey
CMIJNJYLEFDUKS-UHFFFAOYSA-N
Compound name
3-(4-fluorophenoxy)-7-methoxy-2,8-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.09543 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10271 169.4
[M+Na]+ 337.08465 181.3
[M-H]- 313.08815 177.9
[M+NH4]+ 332.12925 184.5
[M+K]+ 353.05859 178.6
[M+H-H2O]+ 297.09269 160.4
[M+HCOO]- 359.09363 191.1
[M+CH3COO]- 373.10928 209.2
[M+Na-2H]- 335.07010 174.3
[M]+ 314.09488 175.6
[M]- 314.09598 175.6
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.