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]+ 233.06085 147.8
[M+Na]+ 255.04279 156.6
[M-H]- 231.04629 153.2
[M+NH4]+ 250.08739 165.5
[M+K]+ 271.01673 153.7
[M+H-H2O]+ 215.05083 141.0
[M+HCOO]- 277.05177 169.9
[M+CH3COO]- 291.06742 186.0
[M+Na-2H]- 253.02824 151.1
[M]+ 232.05302 148.0
[M]- 232.05412 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.