CID 24212845

853333-26-3

Structural Information

Molecular Formula
C20H15F4NO2
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)CCC(=O)NC3=CC=C(C=C3)F)C(F)(F)F
InChI
InChI=1S/C20H15F4NO2/c21-13-5-7-14(8-6-13)25-19(26)12-10-15-9-11-18(27-15)16-3-1-2-4-17(16)20(22,23)24/h1-9,11H,10,12H2,(H,25,26)
InChIKey
LBYVJUPAAJLOAI-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.10388 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.11116 185.5
[M+Na]+ 400.09310 193.4
[M-H]- 376.09660 191.1
[M+NH4]+ 395.13770 197.3
[M+K]+ 416.06704 188.3
[M+H-H2O]+ 360.10114 173.9
[M+HCOO]- 422.10208 203.7
[M+CH3COO]- 436.11773 218.1
[M+Na-2H]- 398.07855 186.3
[M]+ 377.10333 182.5
[M]- 377.10443 182.5
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.