CID 16073208

Schembl2842305

Structural Information

Molecular Formula
C16H11F2NO2
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H11F2NO2/c1-19-16(20)14-12-8-11(18)6-7-13(12)21-15(14)9-2-4-10(17)5-3-9/h2-8H,1H3,(H,19,20)
InChIKey
FZGBWOQBZBAPNC-UHFFFAOYSA-N
Compound name
5-fluoro-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

287.07578 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08306 161.4
[M+Na]+ 310.06500 172.6
[M-H]- 286.06850 168.6
[M+NH4]+ 305.10960 178.9
[M+K]+ 326.03894 168.6
[M+H-H2O]+ 270.07304 152.9
[M+HCOO]- 332.07398 184.8
[M+CH3COO]- 346.08963 174.7
[M+Na-2H]- 308.05045 165.7
[M]+ 287.07523 163.2
[M]- 287.07633 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe