CID 2769621

1-benzofuran-3-yl acetate

Structural Information

Molecular Formula
C10H8O3
SMILES
CC(=O)OC1=COC2=CC=CC=C21
InChI
InChI=1S/C10H8O3/c1-7(11)13-10-6-12-9-5-3-2-4-8(9)10/h2-6H,1H3
InChIKey
XCBLZAJCKKRBED-UHFFFAOYSA-N
Compound name
1-benzofuran-3-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

176.04735 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.054626 132.0
[M+Na]+ 199.036568 142.5
[M-H]- 175.040074 138.3
[M+NH4]+ 194.081173 154.1
[M+K]+ 215.010508 142.0
[M+H-H2O]+ 159.044610 127.1
[M+HCOO]- 221.045551 157.5
[M+CH3COO]- 235.061201 178.0
[M+Na-2H]- 197.022016 140.5
[M]+ 176.04680142 137.3
[M]- 176.04789858 137.3
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