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

10
Patents

311.09576 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.10304 170.3
[M+Na]+ 334.08498 180.3
[M-H]- 310.08848 178.7
[M+NH4]+ 329.12958 186.5
[M+K]+ 350.05892 176.9
[M+H-H2O]+ 294.09302 162.4
[M+HCOO]- 356.09396 193.3
[M+CH3COO]- 370.10961 209.4
[M+Na-2H]- 332.07043 173.0
[M]+ 311.09521 173.9
[M]- 311.09631 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