CID 1333132

3-(4-fluorophenoxy)-7-methoxy-2-(trifluoromethyl)-4h-chromen-4-one

Structural Information

Molecular Formula
C17H10F4O4
SMILES
COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=C(C=C3)F
InChI
InChI=1S/C17H10F4O4/c1-23-11-6-7-12-13(8-11)25-16(17(19,20)21)15(14(12)22)24-10-4-2-9(18)3-5-10/h2-8H,1H3
InChIKey
AEOMDKROXWOYBT-UHFFFAOYSA-N
Compound name
3-(4-fluorophenoxy)-7-methoxy-2-(trifluoromethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.0515 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.05878 176.0
[M+Na]+ 377.04072 188.1
[M-H]- 353.04422 180.4
[M+NH4]+ 372.08532 189.1
[M+K]+ 393.01466 184.6
[M+H-H2O]+ 337.04876 164.5
[M+HCOO]- 399.04970 193.1
[M+CH3COO]- 413.06535 212.9
[M+Na-2H]- 375.02617 181.0
[M]+ 354.05095 177.4
[M]- 354.05205 177.4
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.