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]+ 180.04553 133.0
[M+Na]+ 202.02747 143.7
[M-H]- 178.03097 132.6
[M+NH4]+ 197.07207 149.6
[M+K]+ 218.00141 140.6
[M+H-H2O]+ 162.03551 119.6
[M+HCOO]- 224.03645 149.3
[M+CH3COO]- 238.05210 186.6
[M+Na-2H]- 200.01292 137.8
[M]+ 179.03770 127.7
[M]- 179.03880 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.