CID 725651

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

Structural Information

Molecular Formula
C16H10F3NO2
SMILES
C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC=CC=C3C(F)(F)F
InChI
InChI=1S/C16H10F3NO2/c17-16(18,19)11-6-2-3-7-12(11)20-15(21)14-9-10-5-1-4-8-13(10)22-14/h1-9H,(H,20,21)
InChIKey
HBIZOHKSKDCHBV-UHFFFAOYSA-N
Compound name
N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

305.06638 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.07366 164.4
[M+Na]+ 328.05560 174.2
[M-H]- 304.05910 169.7
[M+NH4]+ 323.10020 180.5
[M+K]+ 344.02954 170.2
[M+H-H2O]+ 288.06364 155.1
[M+HCOO]- 350.06458 185.0
[M+CH3COO]- 364.08023 203.8
[M+Na-2H]- 326.04105 170.3
[M]+ 305.06583 163.6
[M]- 305.06693 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.