CID 590462

7-methoxybenzofuran

Structural Information

Molecular Formula
C9H8O2
SMILES
COC1=CC=CC2=C1OC=C2
InChI
InChI=1S/C9H8O2/c1-10-8-4-2-3-7-5-6-11-9(7)8/h2-6H,1H3
InChIKey
QPLLPLLBBSWRTM-UHFFFAOYSA-N
Compound name
7-methoxy-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

630
Patents

148.05243 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.059706 124.3
[M+Na]+ 171.041648 135.3
[M-H]- 147.045154 130.5
[M+NH4]+ 166.086253 147.7
[M+K]+ 187.015588 134.6
[M+H-H2O]+ 131.049690 119.6
[M+HCOO]- 193.050631 150.7
[M+CH3COO]- 207.066281 173.6
[M+Na-2H]- 169.027096 134.6
[M]+ 148.05188142 129.2
[M]- 148.05297858 129.2
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