CID 5322368

302952-79-0

Structural Information

Molecular Formula
C17H11F3O5
SMILES
COC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)O)C(F)(F)F
InChI
InChI=1S/C17H11F3O5/c1-23-10-3-5-11(6-4-10)24-15-14(22)12-7-2-9(21)8-13(12)25-16(15)17(18,19)20/h2-8,21H,1H3
InChIKey
LKMQUOUQJOAPMU-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

352.05585 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.06313 175.5
[M+Na]+ 375.04507 186.8
[M-H]- 351.04857 179.9
[M+NH4]+ 370.08967 187.9
[M+K]+ 391.01901 183.7
[M+H-H2O]+ 335.05311 165.1
[M+HCOO]- 397.05405 192.3
[M+CH3COO]- 411.06970 210.1
[M+Na-2H]- 373.03052 180.9
[M]+ 352.05530 177.7
[M]- 352.05640 177.7
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

patents stripe