CID 103016

3459-56-1

Structural Information

Molecular Formula
C13H11ClO3
SMILES
C1=COC(=C1)CC(C2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C13H11ClO3/c14-10-5-3-9(4-6-10)12(13(15)16)8-11-2-1-7-17-11/h1-7,12H,8H2,(H,15,16)
InChIKey
DABUAUJNVONJSH-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-3-(furan-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.03967 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04695 152.9
[M+Na]+ 273.02889 166.0
[M+NH4]+ 268.07349 161.0
[M+K]+ 289.00283 161.8
[M-H]- 249.03239 156.8
[M+Na-2H]- 271.01434 159.6
[M]+ 250.03912 156.1
[M]- 250.04022 156.1
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

No patent data available for this compound.