CID 47370

6,7-dimethoxy-2-benzofuranyl methyl ketone

Structural Information

Molecular Formula
C12H12O4
SMILES
CC(=O)C1=COC2=C1C=CC(=C2OC)OC
InChI
InChI=1S/C12H12O4/c1-7(13)9-6-16-11-8(9)4-5-10(14-2)12(11)15-3/h4-6H,1-3H3
InChIKey
NJYJDKKWBOFQLS-UHFFFAOYSA-N
Compound name
1-(6,7-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]+ 221.080836 143.5
[M+Na]+ 243.062778 154.7
[M-H]- 219.066284 150.1
[M+NH4]+ 238.107383 164.2
[M+K]+ 259.036718 154.3
[M+H-H2O]+ 203.070820 138.4
[M+HCOO]- 265.071761 168.3
[M+CH3COO]- 279.087411 189.2
[M+Na-2H]- 241.048226 149.6
[M]+ 220.07301142 151.8
[M]- 220.07410858 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.