CID 4169706

6-fluoro-2-phenylchroman-4-one

Structural Information

Molecular Formula
C15H11FO2
SMILES
C1C(OC2=C(C1=O)C=C(C=C2)F)C3=CC=CC=C3
InChI
InChI=1S/C15H11FO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15H,9H2
InChIKey
XDQCOYNAAQQMKD-UHFFFAOYSA-N
Compound name
6-fluoro-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

16
Patents

242.07431 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08159 150.4
[M+Na]+ 265.06353 159.2
[M-H]- 241.06703 157.5
[M+NH4]+ 260.10813 167.6
[M+K]+ 281.03747 155.9
[M+H-H2O]+ 225.07157 142.0
[M+HCOO]- 287.07251 170.0
[M+CH3COO]- 301.08816 163.2
[M+Na-2H]- 263.04898 157.1
[M]+ 242.07376 148.5
[M]- 242.07486 148.5
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.