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]+ 365.06313 178.5
[M+Na]+ 387.04507 189.0
[M-H]- 363.04857 183.8
[M+NH4]+ 382.08967 190.7
[M+K]+ 403.01901 186.4
[M+H-H2O]+ 347.05311 167.7
[M+HCOO]- 409.05405 195.8
[M+CH3COO]- 423.06970 213.6
[M+Na-2H]- 385.03052 183.4
[M]+ 364.05530 181.1
[M]- 364.05640 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.