CID 5028078

N-phenyl-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide

Structural Information

Molecular Formula
C18H12F3NO2
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3C(F)(F)F
InChI
InChI=1S/C18H12F3NO2/c19-18(20,21)14-9-5-4-8-13(14)15-10-11-16(24-15)17(23)22-12-6-2-1-3-7-12/h1-11H,(H,22,23)
InChIKey
BWXJKJFHROIYGE-UHFFFAOYSA-N
Compound name
N-phenyl-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

331.082 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.08928 178.5
[M+Na]+ 354.07122 188.8
[M+NH4]+ 349.11582 183.8
[M+K]+ 370.04516 184.2
[M-H]- 330.07472 180.5
[M+Na-2H]- 352.05667 185.0
[M]+ 331.08145 180.3
[M]- 331.08255 180.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.