CID 38950

1-benzofuran-2-carbonitrile

Structural Information

Molecular Formula
C9H5NO
SMILES
C1=CC=C2C(=C1)C=C(O2)C#N
InChI
InChI=1S/C9H5NO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H
InChIKey
ZQGAXHXHVKVERC-UHFFFAOYSA-N
Compound name
1-benzofuran-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

310
Patents

143.03711 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.04439 127.9
[M+Na]+ 166.02633 141.2
[M-H]- 142.02983 132.8
[M+NH4]+ 161.07093 148.9
[M+K]+ 182.00027 137.3
[M+H-H2O]+ 126.03437 116.1
[M+HCOO]- 188.03531 150.0
[M+CH3COO]- 202.05096 142.2
[M+Na-2H]- 164.01178 137.0
[M]+ 143.03656 125.8
[M]- 143.03766 125.8
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

No patent data available for this compound.