CID 10314796

Schembl2844212

Structural Information

Molecular Formula
C17H13ClFNO3
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)OC)C3=CC(=C(C=C3)F)Cl
InChI
InChI=1S/C17H13ClFNO3/c1-20-17(21)15-11-8-10(22-2)4-6-14(11)23-16(15)9-3-5-13(19)12(18)7-9/h3-8H,1-2H3,(H,20,21)
InChIKey
QMGSKSTTZBSVLR-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-fluorophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

333.0568 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06408 174.1
[M+Na]+ 356.04602 186.3
[M-H]- 332.04952 182.6
[M+NH4]+ 351.09062 190.8
[M+K]+ 372.01996 181.5
[M+H-H2O]+ 316.05406 167.0
[M+HCOO]- 378.05500 193.7
[M+CH3COO]- 392.07065 211.1
[M+Na-2H]- 354.03147 177.2
[M]+ 333.05625 181.4
[M]- 333.05735 181.4
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