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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07536 141.4
[M+Na]+ 209.05730 148.7
[M-H]- 185.06080 147.6
[M+NH4]+ 204.10190 162.3
[M+K]+ 225.03124 146.3
[M+H-H2O]+ 169.06534 136.1
[M+HCOO]- 231.06628 165.4
[M+CH3COO]- 245.08193 175.6
[M+Na-2H]- 207.04275 144.7
[M]+ 186.06753 140.8
[M]- 186.06863 140.8
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.