CID 67877

403-13-4

Structural Information

Molecular Formula
C10H13FNO2
SMILES
CCOC(=O)C1=C[N+](=CC=C1)CCF
InChI
InChI=1S/C10H13FNO2/c1-2-14-10(13)9-4-3-6-12(8-9)7-5-11/h3-4,6,8H,2,5,7H2,1H3/q+1
InChIKey
MAQYZPBBXAJXSM-UHFFFAOYSA-N
Compound name
ethyl 1-(2-fluoroethyl)pyridin-1-ium-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.09303 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10031 142.0
[M+Na]+ 221.08225 150.0
[M-H]- 197.08575 143.3
[M+NH4]+ 216.12685 159.9
[M+K]+ 237.05619 142.8
[M+H-H2O]+ 181.09029 137.1
[M+HCOO]- 243.09123 163.3
[M+CH3COO]- 257.10688 177.3
[M+Na-2H]- 219.06770 149.4
[M]+ 198.09248 142.2
[M]- 198.09358 142.2
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.