CID 4357559

7-isopropoxy-8-methyl-3-phenoxy-2-(trifluoromethyl)-4h-chromen-4-one

Structural Information

Molecular Formula
C20H17F3O4
SMILES
CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC=C3)C(F)(F)F)OC(C)C
InChI
InChI=1S/C20H17F3O4/c1-11(2)25-15-10-9-14-16(24)18(26-13-7-5-4-6-8-13)19(20(21,22)23)27-17(14)12(15)3/h4-11H,1-3H3
InChIKey
KCTPLWJZZJBYFI-UHFFFAOYSA-N
Compound name
8-methyl-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

378.10788 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.11516 186.3
[M+Na]+ 401.09710 196.6
[M-H]- 377.10060 191.5
[M+NH4]+ 396.14170 198.3
[M+K]+ 417.07104 193.5
[M+H-H2O]+ 361.10514 175.4
[M+HCOO]- 423.10608 202.4
[M+CH3COO]- 437.12173 219.9
[M+Na-2H]- 399.08255 189.2
[M]+ 378.10733 189.2
[M]- 378.10843 189.2
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.