CID 10403508

Schembl2835694

Structural Information

Molecular Formula
C17H13F2NO3
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)OC)C3=CC(=C(C=C3)F)F
InChI
InChI=1S/C17H13F2NO3/c1-20-17(21)15-11-8-10(22-2)4-6-14(11)23-16(15)9-3-5-12(18)13(19)7-9/h3-8H,1-2H3,(H,20,21)
InChIKey
ALJUZFCNVDCBNZ-UHFFFAOYSA-N
Compound name
2-(3,4-difluorophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

317.08636 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09364 169.5
[M+Na]+ 340.07558 180.9
[M-H]- 316.07908 176.9
[M+NH4]+ 335.12018 185.9
[M+K]+ 356.04952 177.4
[M+H-H2O]+ 300.08362 160.8
[M+HCOO]- 362.08456 192.6
[M+CH3COO]- 376.10021 210.2
[M+Na-2H]- 338.06103 172.6
[M]+ 317.08581 173.4
[M]- 317.08691 173.4
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