CID 5417032

127526-39-0

Structural Information

Molecular Formula
C15H9FO3
SMILES
C1=CC=C(C(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)F
InChI
InChI=1S/C15H9FO3/c16-13-4-2-1-3-10(13)12-8-19-14-7-9(17)5-6-11(14)15(12)18/h1-8,17H
InChIKey
ZOLMIYZNQPEYKA-UHFFFAOYSA-N
Compound name
3-(2-fluorophenyl)-7-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.05356 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.06084 152.2
[M+Na]+ 279.04278 163.4
[M-H]- 255.04628 159.1
[M+NH4]+ 274.08738 168.5
[M+K]+ 295.01672 159.6
[M+H-H2O]+ 239.05082 144.1
[M+HCOO]- 301.05176 173.3
[M+CH3COO]- 315.06741 165.6
[M+Na-2H]- 277.02823 159.7
[M]+ 256.05301 153.3
[M]- 256.05411 153.3
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.