CID 16073204

2-(4-fluorophenyl)-n-methyl-5-(2,2,2-trifluoroethoxy)benzofuran-3-carboxamide

Structural Information

Molecular Formula
C18H13F4NO3
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)OCC(F)(F)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H13F4NO3/c1-23-17(24)15-13-8-12(25-9-18(20,21)22)6-7-14(13)26-16(15)10-2-4-11(19)5-3-10/h2-8H,9H2,1H3,(H,23,24)
InChIKey
BFGJQVJOGCLARR-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-5-(2,2,2-trifluoroethoxy)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

367.08316 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.09044 180.7
[M+Na]+ 390.07238 191.3
[M-H]- 366.07588 185.0
[M+NH4]+ 385.11698 194.7
[M+K]+ 406.04632 187.1
[M+H-H2O]+ 350.08042 170.2
[M+HCOO]- 412.08136 199.6
[M+CH3COO]- 426.09701 217.1
[M+Na-2H]- 388.05783 183.7
[M]+ 367.08261 181.6
[M]- 367.08371 181.6
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.