CID 10449598

Schembl2837394

Structural Information

Molecular Formula
C17H12F3NO3
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)OC)C3=CC(=C(C=C3F)F)F
InChI
InChI=1S/C17H12F3NO3/c1-21-17(22)15-10-5-8(23-2)3-4-14(10)24-16(15)9-6-12(19)13(20)7-11(9)18/h3-7H,1-2H3,(H,21,22)
InChIKey
XEHZRWRGVQMZBE-UHFFFAOYSA-N
Compound name
5-methoxy-N-methyl-2-(2,4,5-trifluorophenyl)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

335.07693 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.08421 172.8
[M+Na]+ 358.06615 185.1
[M-H]- 334.06965 179.1
[M+NH4]+ 353.11075 188.6
[M+K]+ 374.04009 181.1
[M+H-H2O]+ 318.07419 163.2
[M+HCOO]- 380.07513 194.7
[M+CH3COO]- 394.09078 214.2
[M+Na-2H]- 356.05160 174.5
[M]+ 335.07638 175.9
[M]- 335.07748 175.9
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