CID 5028078

622804-75-5

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 172.7
[M+Na]+ 354.07122 180.6
[M-H]- 330.07472 179.7
[M+NH4]+ 349.11582 186.3
[M+K]+ 370.04516 176.4
[M+H-H2O]+ 314.07926 162.4
[M+HCOO]- 376.08020 192.8
[M+CH3COO]- 390.09585 208.3
[M+Na-2H]- 352.05667 176.0
[M]+ 331.08145 169.8
[M]- 331.08255 169.8
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.