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

literature stripe

Patent stripe

patents stripe