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]+ 217.065926 143.4
[M+Na]+ 239.047868 152.4
[M-H]- 215.051374 145.7
[M+NH4]+ 234.092473 162.6
[M+K]+ 255.021808 147.8
[M+H-H2O]+ 199.055910 136.8
[M+HCOO]- 261.056851 163.9
[M+CH3COO]- 275.072501 185.7
[M+Na-2H]- 237.033316 149.2
[M]+ 216.05810142 142.1
[M]- 216.05919858 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.