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]+ 235.076506 148.7
[M+Na]+ 257.058448 157.1
[M-H]- 233.061954 154.0
[M+NH4]+ 252.103053 166.3
[M+K]+ 273.032388 154.8
[M+H-H2O]+ 217.066490 141.8
[M+HCOO]- 279.067431 170.6
[M+CH3COO]- 293.083081 187.4
[M+Na-2H]- 255.043896 152.1
[M]+ 234.06868142 149.7
[M]- 234.06977858 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.