CID 725652

N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide

Structural Information

Molecular Formula
C16H10F3NO2
SMILES
C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C16H10F3NO2/c17-16(18,19)11-5-3-6-12(9-11)20-15(21)14-8-10-4-1-2-7-13(10)22-14/h1-9H,(H,20,21)
InChIKey
FHGCOKNNILZYEC-UHFFFAOYSA-N
Compound name
N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

305.06638 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.073656 164.4
[M+Na]+ 328.055598 174.2
[M-H]- 304.059104 169.7
[M+NH4]+ 323.100203 180.5
[M+K]+ 344.029538 170.2
[M+H-H2O]+ 288.063640 155.1
[M+HCOO]- 350.064581 185.0
[M+CH3COO]- 364.080231 203.8
[M+Na-2H]- 326.041046 170.3
[M]+ 305.06583142 163.6
[M]- 305.06692858 163.6
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.