CID 175669386

Methyl 2-fluoro-3-(1h-pyrazol-1-yl)propanoate

Structural Information

Molecular Formula
C7H9FN2O2
SMILES
COC(=O)C(CN1C=CC=N1)F
InChI
InChI=1S/C7H9FN2O2/c1-12-7(11)6(8)5-10-4-2-3-9-10/h2-4,6H,5H2,1H3
InChIKey
FOJZYSYEMJGGSH-UHFFFAOYSA-N
Compound name
methyl 2-fluoro-3-pyrazol-1-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0648 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.072076 133.5
[M+Na]+ 195.054018 141.5
[M-H]- 171.057524 133.2
[M+NH4]+ 190.098623 152.7
[M+K]+ 211.027958 141.2
[M+H-H2O]+ 155.062060 125.5
[M+HCOO]- 217.063001 154.5
[M+CH3COO]- 231.078651 177.6
[M+Na-2H]- 193.039466 137.4
[M]+ 172.06425142 134.1
[M]- 172.06534858 134.1
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.