CID 687121

2-benzofurancarboxamide

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1=CC=C2C(=C1)C=C(O2)C(=O)N
InChI
InChI=1S/C9H7NO2/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,10,11)
InChIKey
QHKJIJXBJCOABP-UHFFFAOYSA-N
Compound name
1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1741
Patents

161.04768 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 128.9
[M+Na]+ 184.03690 138.9
[M-H]- 160.04040 134.6
[M+NH4]+ 179.08150 150.9
[M+K]+ 200.01084 137.6
[M+H-H2O]+ 144.04494 123.7
[M+HCOO]- 206.04588 154.8
[M+CH3COO]- 220.06153 177.8
[M+Na-2H]- 182.02235 137.2
[M]+ 161.04713 130.7
[M]- 161.04823 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe