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 143.4
[M+Na]+ 239.04787 152.4
[M-H]- 215.05137 145.7
[M+NH4]+ 234.09247 162.6
[M+K]+ 255.02181 147.8
[M+H-H2O]+ 199.05591 136.8
[M+HCOO]- 261.05685 163.9
[M+CH3COO]- 275.07250 185.7
[M+Na-2H]- 237.03332 149.2
[M]+ 216.05810 142.1
[M]- 216.05920 142.1
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.