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

literature stripe

Patent stripe

patents stripe