CID 129918039

Methyl 3-(4-fluoropyridin-2-yl)prop-2-ynoate

Structural Information

Molecular Formula
C9H6FNO2
SMILES
COC(=O)C#CC1=NC=CC(=C1)F
InChI
InChI=1S/C9H6FNO2/c1-13-9(12)3-2-8-6-7(10)4-5-11-8/h4-6H,1H3
InChIKey
BMRDMMXUSYPJTJ-UHFFFAOYSA-N
Compound name
methyl 3-(4-fluoro-2-pyridinyl)prop-2-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.03825 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.045526 133.0
[M+Na]+ 202.027468 143.7
[M-H]- 178.030974 132.6
[M+NH4]+ 197.072073 149.6
[M+K]+ 218.001408 140.6
[M+H-H2O]+ 162.035510 119.6
[M+HCOO]- 224.036451 149.3
[M+CH3COO]- 238.052101 186.6
[M+Na-2H]- 200.012916 137.8
[M]+ 179.03770142 127.7
[M]- 179.03879858 127.7
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.