CID 9223

Benzofuran

Structural Information

Molecular Formula
C8H6O
SMILES
C1=CC=C2C(=C1)C=CO2
InChI
InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
InChIKey
IANQTJSKSUMEQM-UHFFFAOYSA-N
Compound name
1-benzofuran
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1040
References

178012
Patents

118.04186 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.04914 116.4
[M+Na]+ 141.03108 127.0
[M-H]- 117.03458 122.4
[M+NH4]+ 136.07568 140.7
[M+K]+ 157.00502 126.0
[M+H-H2O]+ 101.03912 111.8
[M+HCOO]- 163.04006 142.9
[M+CH3COO]- 177.05571 132.9
[M+Na-2H]- 139.01653 127.9
[M]+ 118.04131 119.1
[M]- 118.04241 119.1
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