CID 3073596

150985-44-7

Structural Information

Molecular Formula
C11H8N2O
SMILES
C1=CC=C2C(=C1)C=C(O2)C3=NC=CN3
InChI
InChI=1S/C11H8N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-7H,(H,12,13)
InChIKey
VBFQIUOSXHUWCT-UHFFFAOYSA-N
Compound name
2-(1-benzofuran-2-yl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

72
Patents

184.06366 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07094 134.5
[M+Na]+ 207.05288 145.4
[M-H]- 183.05638 139.9
[M+NH4]+ 202.09748 154.3
[M+K]+ 223.02682 142.3
[M+H-H2O]+ 167.06092 127.7
[M+HCOO]- 229.06186 158.0
[M+CH3COO]- 243.07751 149.0
[M+Na-2H]- 205.03833 142.0
[M]+ 184.06311 136.1
[M]- 184.06421 136.1
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