CID 6474253

1-ferrocenyl-3-furyl-propene-1-one

Structural Information

Molecular Formula

C₁₂H₁₀O₂

SMILES

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

InChI

InChI=1S/C12H10O2/c13-12(10-4-1-2-5-10)8-7-11-6-3-9-14-11/h1-9,13H/b8-7+

InChIKey

MHTYPOGWXYHXLV-BQYQJAHWSA-N

Compound name

(E)-1-cyclopenta-2,4-dien-1-ylidene-3-(furan-2-yl)prop-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.06808 Da
Monoisotopic Mass: 2.7
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]+	187.075356	141.4
[M+Na]+	209.057298	148.7
[M-H]-	185.060804	147.6
[M+NH4]+	204.101903	162.3
[M+K]+	225.031238	146.3
[M+H-H2O]+	169.065340	136.1
[M+HCOO]-	231.066281	165.4
[M+CH3COO]-	245.081931	175.6
[M+Na-2H]-	207.042746	144.7
[M]+	186.06753142	140.8
[M]-	186.06862858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.