CID 2277337

7-[(2,6-dichlorobenzyl)oxy]-4-(trifluoromethyl)-2h-chromen-2-one

Structural Information

Molecular Formula
C17H9Cl2F3O3
SMILES
C1=CC(=C(C(=C1)Cl)COC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)Cl
InChI
InChI=1S/C17H9Cl2F3O3/c18-13-2-1-3-14(19)11(13)8-24-9-4-5-10-12(17(20,21)22)7-16(23)25-15(10)6-9/h1-7H,8H2
InChIKey
JBHFORVXKMMOJS-UHFFFAOYSA-N
Compound name
7-[(2,6-dichlorophenyl)methoxy]-4-(trifluoromethyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.9881 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.99538 179.7
[M+Na]+ 410.97732 193.0
[M-H]- 386.98082 184.5
[M+NH4]+ 406.02192 193.0
[M+K]+ 426.95126 186.6
[M+H-H2O]+ 370.98536 170.7
[M+HCOO]- 432.98630 188.3
[M+CH3COO]- 447.00195 215.7
[M+Na-2H]- 408.96277 184.1
[M]+ 387.98755 184.9
[M]- 387.98865 184.9
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.