CID 5705709

(e)-1-(furan-2-yl)-3-phenylprop-2-en-1-one

Structural Information

Molecular Formula
C13H10O2
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CO2
InChI
InChI=1S/C13H10O2/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-10H/b9-8+
InChIKey
QHSCPZNCMULPEF-CMDGGOBGSA-N
Compound name
(E)-1-(furan-2-yl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

23
Patents

198.06808 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07536 142.3
[M+Na]+ 221.05730 149.8
[M-H]- 197.06080 149.7
[M+NH4]+ 216.10190 161.6
[M+K]+ 237.03124 147.7
[M+H-H2O]+ 181.06534 136.0
[M+HCOO]- 243.06628 166.9
[M+CH3COO]- 257.08193 181.5
[M+Na-2H]- 219.04275 148.1
[M]+ 198.06753 143.2
[M]- 198.06863 143.2
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.