CID 45051406

853333-18-3

Structural Information

Molecular Formula
C20H14F5NO2
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)CCC(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F
InChI
InChI=1S/C20H14F5NO2/c21-12-5-8-17(16(22)11-12)26-19(27)10-7-13-6-9-18(28-13)14-3-1-2-4-15(14)20(23,24)25/h1-6,8-9,11H,7,10H2,(H,26,27)
InChIKey
ZDTABSIOTJRQAU-UHFFFAOYSA-N
Compound name
N-(2,4-difluorophenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.09448 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.10176 188.8
[M+Na]+ 418.08370 197.8
[M-H]- 394.08720 193.4
[M+NH4]+ 413.12830 200.2
[M+K]+ 434.05764 192.2
[M+H-H2O]+ 378.09174 176.5
[M+HCOO]- 440.09268 205.9
[M+CH3COO]- 454.10833 222.1
[M+Na-2H]- 416.06915 188.3
[M]+ 395.09393 185.1
[M]- 395.09503 185.1
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.