CID 213845

2,4-pentadiyn-1-one, 1-(2-furyl)-5-(methoxyphenyl)-

Structural Information

Molecular Formula
C16H10O3
SMILES
COC1=CC=CC=C1C#CC#CC(=O)C2=CC=CO2
InChI
InChI=1S/C16H10O3/c1-18-15-10-5-3-8-13(15)7-2-4-9-14(17)16-11-6-12-19-16/h3,5-6,8,10-12H,1H3
InChIKey
CFKYKANXAQSBJF-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-5-(2-methoxyphenyl)penta-2,4-diyn-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.06299 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.07027 167.6
[M+Na]+ 273.05221 178.9
[M-H]- 249.05571 170.9
[M+NH4]+ 268.09681 178.7
[M+K]+ 289.02615 172.0
[M+H-H2O]+ 233.06025 152.1
[M+HCOO]- 295.06119 177.1
[M+CH3COO]- 309.07684 213.8
[M+Na-2H]- 271.03766 167.3
[M]+ 250.06244 160.6
[M]- 250.06354 160.6
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.