CID 5708548

386704-09-2

Structural Information

Molecular Formula
C16H9F3O3
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=O)OC3=C2C=CC(=C3)O
InChI
InChI=1S/C16H9F3O3/c17-16(18,19)10-3-1-2-9(6-10)13-8-15(21)22-14-7-11(20)4-5-12(13)14/h1-8,20H
InChIKey
VWKFVRVGEBQAQP-UHFFFAOYSA-N
Compound name
7-hydroxy-4-[3-(trifluoromethyl)phenyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.05038 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.05766 164.4
[M+Na]+ 329.03960 175.8
[M-H]- 305.04310 168.6
[M+NH4]+ 324.08420 178.6
[M+K]+ 345.01354 171.3
[M+H-H2O]+ 289.04764 154.6
[M+HCOO]- 351.04858 181.3
[M+CH3COO]- 365.06423 201.4
[M+Na-2H]- 327.02505 170.8
[M]+ 306.04983 163.0
[M]- 306.05093 163.0
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

patents stripe