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]+ 332.089276 172.7
[M+Na]+ 354.071218 180.6
[M-H]- 330.074724 179.7
[M+NH4]+ 349.115823 186.3
[M+K]+ 370.045158 176.4
[M+H-H2O]+ 314.079260 162.4
[M+HCOO]- 376.080201 192.8
[M+CH3COO]- 390.095851 208.3
[M+Na-2H]- 352.056666 176.0
[M]+ 331.08145142 169.8
[M]- 331.08254858 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.