CID 251531

Phenethyl 2-furoate

Structural Information

Molecular Formula
C13H12O3
SMILES
C1=CC=C(C=C1)CCOC(=O)C2=CC=CO2
InChI
InChI=1S/C13H12O3/c14-13(12-7-4-9-15-12)16-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2
InChIKey
QKPSYARWSBJEDY-UHFFFAOYSA-N
Compound name
2-phenylethyl furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

223
Patents

216.07864 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 147.1
[M+Na]+ 239.06786 159.9
[M+NH4]+ 234.11246 155.4
[M+K]+ 255.04180 155.3
[M-H]- 215.07136 151.6
[M+Na-2H]- 237.05331 154.8
[M]+ 216.07809 150.1
[M]- 216.07919 150.1
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

patents stripe