CID 6435876

57568-60-2

Structural Information

Molecular Formula

C₁₃H₁₀O₂

SMILES

C1=CC=C(C=C1)/C(=C\C2=CC=CO2)/C=O

InChI

InChI=1S/C13H10O2/c14-10-12(9-13-7-4-8-15-13)11-5-2-1-3-6-11/h1-10H/b12-9-

InChIKey

JPESOGFYFXAURP-XFXZXTDPSA-N

Compound name

(E)-3-(furan-2-yl)-2-phenylprop-2-enal

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 326
Patents: 198.06808 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	199.075356	142.3
[M+Na]+	221.057298	149.8
[M-H]-	197.060804	149.7
[M+NH4]+	216.101903	161.6
[M+K]+	237.031238	147.7
[M+H-H2O]+	181.065340	136.0
[M+HCOO]-	243.066281	166.9
[M+CH3COO]-	257.081931	181.5
[M+Na-2H]-	219.042746	148.1
[M]+	198.06753142	143.2
[M]-	198.06862858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe