CID 5400232

315233-63-7

Structural Information

Molecular Formula
C17H11F3O4
SMILES
COC1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)O)C(F)(F)F
InChI
InChI=1S/C17H11F3O4/c1-23-11-5-2-9(3-6-11)14-15(22)12-7-4-10(21)8-13(12)24-16(14)17(18,19)20/h2-8,21H,1H3
InChIKey
ZUXJYWAFEHIOHI-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

336.06094 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.06822 172.5
[M+Na]+ 359.05016 184.1
[M-H]- 335.05366 176.9
[M+NH4]+ 354.09476 185.7
[M+K]+ 375.02410 180.3
[M+H-H2O]+ 319.05820 162.4
[M+HCOO]- 381.05914 189.2
[M+CH3COO]- 395.07479 207.9
[M+Na-2H]- 357.03561 177.8
[M]+ 336.06039 173.3
[M]- 336.06149 173.3
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.