CID 72213268

Ethyl 2-(2-fluoropyridin-4-yl)acetate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

183.06955 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07683 135.9
[M+Na]+ 206.05877 144.4
[M-H]- 182.06227 137.1
[M+NH4]+ 201.10337 154.7
[M+K]+ 222.03271 142.9
[M+H-H2O]+ 166.06681 128.5
[M+HCOO]- 228.06775 157.9
[M+CH3COO]- 242.08340 181.1
[M+Na-2H]- 204.04422 141.7
[M]+ 183.06900 137.1
[M]- 183.07010 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

patents stripe