CID 4259215

6-ethyl-4-oxo-3-phenoxy-2-(trifluoromethyl)-4h-chromen-7-yl acetate

Structural Information

Molecular Formula
C20H15F3O5
SMILES
CCC1=CC2=C(C=C1OC(=O)C)OC(=C(C2=O)OC3=CC=CC=C3)C(F)(F)F
InChI
InChI=1S/C20H15F3O5/c1-3-12-9-14-16(10-15(12)26-11(2)24)28-19(20(21,22)23)18(17(14)25)27-13-7-5-4-6-8-13/h4-10H,3H2,1-2H3
InChIKey
ZCTZOWLKGZBSPI-UHFFFAOYSA-N
Compound name
[6-ethyl-4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

392.08716 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.09444 188.1
[M+Na]+ 415.07638 198.6
[M-H]- 391.07988 193.4
[M+NH4]+ 410.12098 199.4
[M+K]+ 431.05032 195.7
[M+H-H2O]+ 375.08442 177.0
[M+HCOO]- 437.08536 204.6
[M+CH3COO]- 451.10101 220.8
[M+Na-2H]- 413.06183 191.2
[M]+ 392.08661 191.7
[M]- 392.08771 191.7
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

No patent data available for this compound.