CID 1036396

7,8-dimethoxy-3-phenoxy-2-(trifluoromethyl)-4h-chromen-4-one

Structural Information

Molecular Formula
C18H13F3O5
SMILES
COC1=C(C2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3)OC
InChI
InChI=1S/C18H13F3O5/c1-23-12-9-8-11-13(22)16(25-10-6-4-3-5-7-10)17(18(19,20)21)26-14(11)15(12)24-2/h3-9H,1-2H3
InChIKey
FCCNJBYIWZWLOB-UHFFFAOYSA-N
Compound name
7,8-dimethoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

366.0715 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.078776 180.3
[M+Na]+ 389.060718 191.6
[M-H]- 365.064224 185.8
[M+NH4]+ 384.105323 192.8
[M+K]+ 405.034658 189.1
[M+H-H2O]+ 349.068760 169.3
[M+HCOO]- 411.069701 198.2
[M+CH3COO]- 425.085351 215.3
[M+Na-2H]- 387.046166 185.5
[M]+ 366.07095142 184.6
[M]- 366.07204858 184.6
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.