CID 11286612

1-(1-benzofuran-3-yl)ethan-1-one

Structural Information

Molecular Formula
C10H8O2
SMILES
CC(=O)C1=COC2=CC=CC=C21
InChI
InChI=1S/C10H8O2/c1-7(11)9-6-12-10-5-3-2-4-8(9)10/h2-6H,1H3
InChIKey
CHGABJRZTFUHDT-UHFFFAOYSA-N
Compound name
1-(1-benzofuran-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

231
Patents

160.05243 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05971 128.7
[M+Na]+ 183.04165 139.2
[M-H]- 159.04515 134.9
[M+NH4]+ 178.08625 151.4
[M+K]+ 199.01559 138.1
[M+H-H2O]+ 143.04969 123.9
[M+HCOO]- 205.05063 153.9
[M+CH3COO]- 219.06628 176.6
[M+Na-2H]- 181.02710 137.1
[M]+ 160.05188 132.6
[M]- 160.05298 132.6
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