CID 16073505

Schembl2836515

Structural Information

Molecular Formula
C18H14FNO3
SMILES
CC(=O)C1=CC2=C(C=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC
InChI
InChI=1S/C18H14FNO3/c1-10(21)12-5-8-14-15(9-12)23-17(16(14)18(22)20-2)11-3-6-13(19)7-4-11/h3-9H,1-2H3,(H,20,22)
InChIKey
TXPLWQCLZVQJLJ-UHFFFAOYSA-N
Compound name
6-acetyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

311.09576 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.103036 170.3
[M+Na]+ 334.084978 180.3
[M-H]- 310.088484 178.7
[M+NH4]+ 329.129583 186.5
[M+K]+ 350.058918 176.9
[M+H-H2O]+ 294.093020 162.4
[M+HCOO]- 356.093961 193.3
[M+CH3COO]- 370.109611 209.4
[M+Na-2H]- 332.070426 173.0
[M]+ 311.09521142 173.9
[M]- 311.09630858 173.9
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