CID 5322257

Chembl1084264

Structural Information

Molecular Formula
C17H11F3O3
SMILES
CC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)O)C(F)(F)F
InChI
InChI=1S/C17H11F3O3/c1-9-4-2-3-5-11(9)14-15(22)12-7-6-10(21)8-13(12)23-16(14)17(18,19)20/h2-8,21H,1H3
InChIKey
GVKVZNZXUONQJU-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

320.06604 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.073316 169.3
[M+Na]+ 343.055258 181.1
[M-H]- 319.058764 173.7
[M+NH4]+ 338.099863 183.3
[M+K]+ 359.029198 176.5
[M+H-H2O]+ 303.063300 159.5
[M+HCOO]- 365.064241 185.8
[M+CH3COO]- 379.079891 205.7
[M+Na-2H]- 341.040706 174.4
[M]+ 320.06549142 168.7
[M]- 320.06658858 168.7
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.