CID 5825979

Schembl14464479

Structural Information

Molecular Formula
C14H12O4
SMILES
COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CO2)O
InChI
InChI=1S/C14H12O4/c1-17-11-4-6-12(14(16)9-11)13(15)7-5-10-3-2-8-18-10/h2-9,16H,1H3/b7-5+
InChIKey
HYFUNIRTCZNDOT-FNORWQNLSA-N
Compound name
(E)-3-(furan-2-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

244.07356 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08084 152.7
[M+Na]+ 267.06278 160.9
[M-H]- 243.06628 159.3
[M+NH4]+ 262.10738 169.8
[M+K]+ 283.03672 158.8
[M+H-H2O]+ 227.07082 146.4
[M+HCOO]- 289.07176 175.7
[M+CH3COO]- 303.08741 188.4
[M+Na-2H]- 265.04823 156.2
[M]+ 244.07301 155.7
[M]- 244.07411 155.7
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.