CID 86000297

8-chloro-4'-fluoroflavanone

Structural Information

Molecular Formula
C15H8ClFO2
SMILES
C1=CC2=C(C(=C1)Cl)OC(=CC2=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C15H8ClFO2/c16-12-3-1-2-11-13(18)8-14(19-15(11)12)9-4-6-10(17)7-5-9/h1-8H
InChIKey
RAJQQQVHDSWBRI-UHFFFAOYSA-N
Compound name
8-chloro-2-(4-fluorophenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.01968 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.02696 155.3
[M+Na]+ 297.00890 167.9
[M-H]- 273.01240 163.2
[M+NH4]+ 292.05350 172.6
[M+K]+ 312.98284 162.6
[M+H-H2O]+ 257.01694 147.7
[M+HCOO]- 319.01788 173.1
[M+CH3COO]- 333.03353 169.1
[M+Na-2H]- 294.99435 162.6
[M]+ 274.01913 159.1
[M]- 274.02023 159.1
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.