CID 746742

Brn 4757357

Structural Information

Molecular Formula
C18H15FO3
SMILES
CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H15FO3/c1-11(2)22-14-7-8-15-17(9-14)21-10-16(18(15)20)12-3-5-13(19)6-4-12/h3-11H,1-2H3
InChIKey
BZTQIVBTNKHMHV-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-7-propan-2-yloxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

298.10052 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10780 166.4
[M+Na]+ 321.08974 176.3
[M-H]- 297.09324 174.1
[M+NH4]+ 316.13434 181.5
[M+K]+ 337.06368 173.2
[M+H-H2O]+ 281.09778 157.4
[M+HCOO]- 343.09872 186.9
[M+CH3COO]- 357.11437 205.4
[M+Na-2H]- 319.07519 171.4
[M]+ 298.09997 169.6
[M]- 298.10107 169.6
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

patents stripe