CID 2466699

851398-31-7

Structural Information

Molecular Formula
C13H9FO3
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)/C=C/C(=O)O)F
InChI
InChI=1S/C13H9FO3/c14-11-4-2-1-3-10(11)12-7-5-9(17-12)6-8-13(15)16/h1-8H,(H,15,16)/b8-6+
InChIKey
IQDSFOSUBHYSDL-SOFGYWHQSA-N
Compound name
(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.05357 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.060846 147.8
[M+Na]+ 255.042788 156.6
[M-H]- 231.046294 153.2
[M+NH4]+ 250.087393 165.5
[M+K]+ 271.016728 153.7
[M+H-H2O]+ 215.050830 141.0
[M+HCOO]- 277.051771 169.9
[M+CH3COO]- 291.067421 186.0
[M+Na-2H]- 253.028236 151.1
[M]+ 232.05302142 148.0
[M]- 232.05411858 148.0
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.