CID 2257851

6-ethyl-7-isopropoxy-3-phenyl-2-(trifluoromethyl)-4h-chromen-4-one

Structural Information

Molecular Formula
C21H19F3O3
SMILES
CCC1=CC2=C(C=C1OC(C)C)OC(=C(C2=O)C3=CC=CC=C3)C(F)(F)F
InChI
InChI=1S/C21H19F3O3/c1-4-13-10-15-17(11-16(13)26-12(2)3)27-20(21(22,23)24)18(19(15)25)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3
InChIKey
VGSQMLOWNGXWCC-UHFFFAOYSA-N
Compound name
6-ethyl-3-phenyl-7-propan-2-yloxy-2-(trifluoromethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.12863 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.13591 187.9
[M+Na]+ 399.11785 198.0
[M-H]- 375.12135 192.9
[M+NH4]+ 394.16245 200.1
[M+K]+ 415.09179 193.9
[M+H-H2O]+ 359.12589 177.0
[M+HCOO]- 421.12683 203.5
[M+CH3COO]- 435.14248 220.7
[M+Na-2H]- 397.10330 190.1
[M]+ 376.12808 189.7
[M]- 376.12918 189.7
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.