CID 20510008

2-(benzofuran-5-yl)acetonitrile

Structural Information

Molecular Formula
C10H7NO
SMILES
C1=CC2=C(C=CO2)C=C1CC#N
InChI
InChI=1S/C10H7NO/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,4,6-7H,3H2
InChIKey
LAUKCBLGPOGMJR-UHFFFAOYSA-N
Compound name
2-(1-benzofuran-5-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

157.05276 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.06004 132.1
[M+Na]+ 180.04198 145.1
[M-H]- 156.04548 136.9
[M+NH4]+ 175.08658 152.6
[M+K]+ 196.01592 140.9
[M+H-H2O]+ 140.05002 120.1
[M+HCOO]- 202.05096 153.9
[M+CH3COO]- 216.06661 146.0
[M+Na-2H]- 178.02743 140.7
[M]+ 157.05221 130.3
[M]- 157.05331 130.3
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