CID 5322258

7-hydroxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)-4h-chromen-4-one

Structural Information

Molecular Formula
C18H13F3O3
SMILES
CC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3C)O)C(F)(F)F
InChI
InChI=1S/C18H13F3O3/c1-9-5-3-4-6-11(9)14-15(23)12-7-8-13(22)10(2)16(12)24-17(14)18(19,20)21/h3-8,22H,1-2H3
InChIKey
QFAARRNOSOYPBS-UHFFFAOYSA-N
Compound name
7-hydroxy-8-methyl-3-(2-methylphenyl)-2-(trifluoromethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

334.08167 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.08895 174.1
[M+Na]+ 357.07089 186.3
[M-H]- 333.07439 178.7
[M+NH4]+ 352.11549 187.8
[M+K]+ 373.04483 181.7
[M+H-H2O]+ 317.07893 164.2
[M+HCOO]- 379.07987 190.2
[M+CH3COO]- 393.09552 209.9
[M+Na-2H]- 355.05634 178.0
[M]+ 334.08112 174.2
[M]- 334.08222 174.2
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.