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]+ 217.08592 145.8
[M+Na]+ 239.06786 153.8
[M-H]- 215.07136 153.6
[M+NH4]+ 234.11246 164.7
[M+K]+ 255.04180 152.8
[M+H-H2O]+ 199.07590 139.4
[M+HCOO]- 261.07684 170.4
[M+CH3COO]- 275.09249 186.1
[M+Na-2H]- 237.05331 150.9
[M]+ 216.07809 149.4
[M]- 216.07919 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.