CID 16073370

Schembl2839079

Structural Information

Molecular Formula
C18H14FNO4
SMILES
CC(=O)C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)O
InChI
InChI=1S/C18H14FNO4/c1-9(21)12-8-15-13(7-14(12)22)16(18(23)20-2)17(24-15)10-3-5-11(19)6-4-10/h3-8,22H,1-2H3,(H,20,23)
InChIKey
DHIJZUDSOKMMFB-UHFFFAOYSA-N
Compound name
6-acetyl-2-(4-fluorophenyl)-5-hydroxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

327.0907 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09798 173.4
[M+Na]+ 350.07992 183.5
[M-H]- 326.08342 180.7
[M+NH4]+ 345.12452 188.4
[M+K]+ 366.05386 180.2
[M+H-H2O]+ 310.08796 165.7
[M+HCOO]- 372.08890 195.0
[M+CH3COO]- 386.10455 210.6
[M+Na-2H]- 348.06537 175.1
[M]+ 327.09015 176.9
[M]- 327.09125 176.9
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