CID 7131276

3-[5-(2-fluorophenyl)furan-2-yl]propanoic acid

Structural Information

Molecular Formula
C13H11FO3
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)CCC(=O)O)F
InChI
InChI=1S/C13H11FO3/c14-11-4-2-1-3-10(11)12-7-5-9(17-12)6-8-13(15)16/h1-5,7H,6,8H2,(H,15,16)
InChIKey
KUMBITMQUAOMGM-UHFFFAOYSA-N
Compound name
3-[5-(2-fluorophenyl)furan-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

234.06923 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07651 148.7
[M+Na]+ 257.05845 157.1
[M-H]- 233.06195 154.0
[M+NH4]+ 252.10305 166.3
[M+K]+ 273.03239 154.8
[M+H-H2O]+ 217.06649 141.8
[M+HCOO]- 279.06743 170.6
[M+CH3COO]- 293.08308 187.4
[M+Na-2H]- 255.04390 152.1
[M]+ 234.06868 149.7
[M]- 234.06978 149.7
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

No patent data available for this compound.