CID 47369

Brn 1248811

Structural Information

Molecular Formula
C12H12O4
SMILES
CC(=O)C1=COC2=C(C=CC(=C12)OC)OC
InChI
InChI=1S/C12H12O4/c1-7(13)8-6-16-12-10(15-3)5-4-9(14-2)11(8)12/h4-6H,1-3H3
InChIKey
WPRRXTIOQNEYAH-UHFFFAOYSA-N
Compound name
1-(4,7-dimethoxy-1-benzofuran-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.07356 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 143.5
[M+Na]+ 243.06278 154.7
[M-H]- 219.06628 150.1
[M+NH4]+ 238.10738 164.2
[M+K]+ 259.03672 154.3
[M+H-H2O]+ 203.07082 138.4
[M+HCOO]- 265.07176 168.3
[M+CH3COO]- 279.08741 189.2
[M+Na-2H]- 241.04823 149.6
[M]+ 220.07301 151.8
[M]- 220.07411 151.8
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

No patent data available for this compound.