CID 62395575

Ethyl 2-(5-fluoropyridin-3-yl)acetate

Structural Information

Molecular Formula
C9H10FNO2
SMILES
CCOC(=O)CC1=CC(=CN=C1)F
InChI
InChI=1S/C9H10FNO2/c1-2-13-9(12)4-7-3-8(10)6-11-5-7/h3,5-6H,2,4H2,1H3
InChIKey
BCZQGAWXFCZDFC-UHFFFAOYSA-N
Compound name
ethyl 2-(5-fluoro-3-pyridinyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.06955 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.076826 135.9
[M+Na]+ 206.058768 144.4
[M-H]- 182.062274 137.1
[M+NH4]+ 201.103373 154.7
[M+K]+ 222.032708 142.9
[M+H-H2O]+ 166.066810 128.5
[M+HCOO]- 228.067751 157.9
[M+CH3COO]- 242.083401 181.1
[M+Na-2H]- 204.044216 141.7
[M]+ 183.06900142 137.1
[M]- 183.07009858 137.1
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.