CID 5271545

845-12-5

Structural Information

Molecular Formula
C16H13FO3
SMILES
COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=CC(=C3)F
InChI
InChI=1S/C16H13FO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-8,16H,9H2,1H3
InChIKey
YAMGMTOTNANQRU-UHFFFAOYSA-N
Compound name
6-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.08487 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09215 158.5
[M+Na]+ 295.07409 167.6
[M-H]- 271.07759 165.8
[M+NH4]+ 290.11869 174.6
[M+K]+ 311.04803 164.8
[M+H-H2O]+ 255.08213 149.8
[M+HCOO]- 317.08307 177.9
[M+CH3COO]- 331.09872 199.1
[M+Na-2H]- 293.05954 163.9
[M]+ 272.08432 158.8
[M]- 272.08542 158.8
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.