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]+ 367.07878 180.3
[M+Na]+ 389.06072 191.6
[M-H]- 365.06422 185.8
[M+NH4]+ 384.10532 192.8
[M+K]+ 405.03466 189.1
[M+H-H2O]+ 349.06876 169.3
[M+HCOO]- 411.06970 198.2
[M+CH3COO]- 425.08535 215.3
[M+Na-2H]- 387.04617 185.5
[M]+ 366.07095 184.6
[M]- 366.07205 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.