CID 64137927

1453089-75-2

Structural Information

Molecular Formula
C13H9FO2
SMILES
C1=CC=C2C(=C1)C(=CC=C2F)/C=C/C(=O)O
InChI
InChI=1S/C13H9FO2/c14-12-7-5-9(6-8-13(15)16)10-3-1-2-4-11(10)12/h1-8H,(H,15,16)/b8-6+
InChIKey
CFKPJMKVXIDBOL-SOFGYWHQSA-N
Compound name
(E)-3-(4-fluoronaphthalen-1-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.05865 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06593 145.9
[M+Na]+ 239.04787 159.1
[M+NH4]+ 234.09247 153.8
[M+K]+ 255.02181 151.9
[M-H]- 215.05137 146.7
[M+Na-2H]- 237.03332 151.8
[M]+ 216.05810 147.9
[M]- 216.05920 147.9
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.