CID 105434006

Methyl 2-(6-fluoro-3-pyridyl)acetate

Structural Information

Molecular Formula
C8H8FNO2
SMILES
COC(=O)CC1=CN=C(C=C1)F
InChI
InChI=1S/C8H8FNO2/c1-12-8(11)4-6-2-3-7(9)10-5-6/h2-3,5H,4H2,1H3
InChIKey
KGXQCQKOQGHOPE-UHFFFAOYSA-N
Compound name
methyl 2-(6-fluoropyridin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

169.05391 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06119 131.2
[M+Na]+ 192.04313 140.1
[M-H]- 168.04663 132.5
[M+NH4]+ 187.08773 150.5
[M+K]+ 208.01707 138.9
[M+H-H2O]+ 152.05117 124.0
[M+HCOO]- 214.05211 153.5
[M+CH3COO]- 228.06776 178.1
[M+Na-2H]- 190.02858 137.6
[M]+ 169.05336 132.0
[M]- 169.05446 132.0
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