CID 59010021

6-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]-1-benzofuran

Structural Information

Molecular Formula
C16H9F5O3
SMILES
C1=CC(=CC2=C1C=CO2)OC3=C(C=C(C=C3)C(F)(F)F)OC(F)F
InChI
InChI=1S/C16H9F5O3/c17-15(18)24-14-7-10(16(19,20)21)2-4-12(14)23-11-3-1-9-5-6-22-13(9)8-11/h1-8,15H
InChIKey
LQVISKRFLSSLRL-UHFFFAOYSA-N
Compound name
6-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

344.04718 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05446 170.9
[M+Na]+ 367.03640 182.2
[M-H]- 343.03990 173.9
[M+NH4]+ 362.08100 185.8
[M+K]+ 383.01034 178.5
[M+H-H2O]+ 327.04444 160.0
[M+HCOO]- 389.04538 188.2
[M+CH3COO]- 403.06103 209.1
[M+Na-2H]- 365.02185 174.4
[M]+ 344.04663 171.0
[M]- 344.04773 171.0
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

patents stripe