CID 5415655

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

Structural Information

Molecular Formula
C16H8F4O4
SMILES
C1=CC(=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3)O)C(F)(F)F)F
InChI
InChI=1S/C16H8F4O4/c17-8-1-4-10(5-2-8)23-14-13(22)11-6-3-9(21)7-12(11)24-15(14)16(18,19)20/h1-7,21H
InChIKey
ZQDBDHHLUGHZAN-UHFFFAOYSA-N
Compound name
3-(4-fluorophenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.03586 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.04314 171.2
[M+Na]+ 363.02508 183.3
[M-H]- 339.02858 174.4
[M+NH4]+ 358.06968 184.1
[M+K]+ 378.99902 179.1
[M+H-H2O]+ 323.03312 160.3
[M+HCOO]- 385.03406 187.1
[M+CH3COO]- 399.04971 207.7
[M+Na-2H]- 361.01053 176.4
[M]+ 340.03531 170.5
[M]- 340.03641 170.5
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.