CID 23468764

2-(1-benzofuran-7-yl)acetonitrile

Structural Information

Molecular Formula
C10H7NO
SMILES
C1=CC2=C(C(=C1)CC#N)OC=C2
InChI
InChI=1S/C10H7NO/c11-6-4-8-2-1-3-9-5-7-12-10(8)9/h1-3,5,7H,4H2
InChIKey
GPHVJVMHDWVUFB-UHFFFAOYSA-N
Compound name
2-(1-benzofuran-7-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
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

No literature data available for this compound.

Patent stripe

patents stripe