CID 3250756

4-ethoxyphenyl 2-furyl ketone

Structural Information

Molecular Formula
C13H12O3
SMILES
CCOC1=CC=C(C=C1)C(=O)C2=CC=CO2
InChI
InChI=1S/C13H12O3/c1-2-15-11-7-5-10(6-8-11)13(14)12-4-3-9-16-12/h3-9H,2H2,1H3
InChIKey
ITBMRCNTZQFPOT-UHFFFAOYSA-N
Compound name
(4-ethoxyphenyl)-(furan-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.07864 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.085916 145.8
[M+Na]+ 239.067858 153.8
[M-H]- 215.071364 153.6
[M+NH4]+ 234.112463 164.7
[M+K]+ 255.041798 152.8
[M+H-H2O]+ 199.075900 139.4
[M+HCOO]- 261.076841 170.4
[M+CH3COO]- 275.092491 186.1
[M+Na-2H]- 237.053306 150.9
[M]+ 216.07809142 149.4
[M]- 216.07918858 149.4
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.