CID 1375807

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

Structural Information

Molecular Formula
C18H11F3O5
SMILES
CC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3
InChI
InChI=1S/C18H11F3O5/c1-10(22)24-12-7-8-13-14(9-12)26-17(18(19,20)21)16(15(13)23)25-11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
QEPFVXUNYCSNJC-UHFFFAOYSA-N
Compound name
[4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

364.05585 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.063126 178.5
[M+Na]+ 387.045068 189.0
[M-H]- 363.048574 183.8
[M+NH4]+ 382.089673 190.7
[M+K]+ 403.019008 186.4
[M+H-H2O]+ 347.053110 167.7
[M+HCOO]- 409.054051 195.8
[M+CH3COO]- 423.069701 213.6
[M+Na-2H]- 385.030516 183.4
[M]+ 364.05530142 181.1
[M]- 364.05639858 181.1
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.