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

311
Patents

143.03711 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.044386 127.9
[M+Na]+ 166.026328 141.2
[M-H]- 142.029834 132.8
[M+NH4]+ 161.070933 148.9
[M+K]+ 182.000268 137.3
[M+H-H2O]+ 126.034370 116.1
[M+HCOO]- 188.035311 150.0
[M+CH3COO]- 202.050961 142.2
[M+Na-2H]- 164.011776 137.0
[M]+ 143.03656142 125.8
[M]- 143.03765858 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

literature stripe

Patent stripe

patents stripe