CID 2769401

Benzofuran-3-acetonitrile

Structural Information

Molecular Formula
C10H7NO
SMILES
C1=CC=C2C(=C1)C(=CO2)CC#N
InChI
InChI=1S/C10H7NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5H2
InChIKey
BJAJKVZABJZXDC-UHFFFAOYSA-N
Compound name
2-(1-benzofuran-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

157.05276 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.060036 132.1
[M+Na]+ 180.041978 145.1
[M-H]- 156.045484 136.9
[M+NH4]+ 175.086583 152.6
[M+K]+ 196.015918 140.9
[M+H-H2O]+ 140.050020 120.1
[M+HCOO]- 202.050961 153.9
[M+CH3COO]- 216.066611 146.0
[M+Na-2H]- 178.027426 140.7
[M]+ 157.05221142 130.3
[M]- 157.05330858 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

literature stripe

Patent stripe

patents stripe