CID 24212534

853311-79-2

Structural Information

Molecular Formula
C20H15ClF3NO2
SMILES
C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H15ClF3NO2/c21-14-7-5-13(6-8-14)18-11-9-15(27-18)10-12-19(26)25-17-4-2-1-3-16(17)20(22,23)24/h1-9,11H,10,12H2,(H,25,26)
InChIKey
KDBVDBDOXCDBRJ-UHFFFAOYSA-N
Compound name
3-[5-(4-chlorophenyl)furan-2-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.07434 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.08162 189.9
[M+Na]+ 416.06356 198.6
[M-H]- 392.06706 196.7
[M+NH4]+ 411.10816 202.1
[M+K]+ 432.03750 192.2
[M+H-H2O]+ 376.07160 179.7
[M+HCOO]- 438.07254 204.7
[M+CH3COO]- 452.08819 218.9
[M+Na-2H]- 414.04901 190.8
[M]+ 393.07379 190.6
[M]- 393.07489 190.6
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.