CID 1036399

7-isopropoxy-3-phenoxy-2-(trifluoromethyl)-4h-chromen-4-one

Structural Information

Molecular Formula
C19H15F3O4
SMILES
CC(C)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3
InChI
InChI=1S/C19H15F3O4/c1-11(2)24-13-8-9-14-15(10-13)26-18(19(20,21)22)17(16(14)23)25-12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKey
SQRUBZCCNPDDPD-UHFFFAOYSA-N
Compound name
3-phenoxy-7-propan-2-yloxy-2-(trifluoromethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.09225 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.09953 181.6
[M+Na]+ 387.08147 191.4
[M-H]- 363.08497 186.6
[M+NH4]+ 382.12607 193.9
[M+K]+ 403.05541 188.5
[M+H-H2O]+ 347.08951 170.6
[M+HCOO]- 409.09045 198.1
[M+CH3COO]- 423.10610 215.7
[M+Na-2H]- 385.06692 185.7
[M]+ 364.09170 183.7
[M]- 364.09280 183.7
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.