CID 15618732

2-(1-benzofuran-2-yl)acetonitrile

Structural Information

Molecular Formula
C10H7NO
SMILES
C1=CC=C2C(=C1)C=C(O2)CC#N
InChI
InChI=1S/C10H7NO/c11-6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7H,5H2
InChIKey
OPDLHQOQMQIFLC-UHFFFAOYSA-N
Compound name
2-(1-benzofuran-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
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 133.1
[M+Na]+ 180.04198 147.0
[M+NH4]+ 175.08658 139.4
[M+K]+ 196.01592 138.3
[M-H]- 156.04548 129.8
[M+Na-2H]- 178.02743 137.9
[M]+ 157.05221 133.5
[M]- 157.05331 133.5
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