CID 25247502

Methyl 3-(2-fluorophenyl)-1h-pyrazole-5-carboxylate

Structural Information

Molecular Formula
C11H9FN2O2
SMILES
COC(=O)C1=CC(=NN1)C2=CC=CC=C2F
InChI
InChI=1S/C11H9FN2O2/c1-16-11(15)10-6-9(13-14-10)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,13,14)
InChIKey
FRQUGJQHNHIGBU-UHFFFAOYSA-N
Compound name
methyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
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References

0
Patents

220.0648 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07208 147.7
[M+Na]+ 243.05402 159.6
[M+NH4]+ 238.09862 154.1
[M+K]+ 259.02796 155.9
[M-H]- 219.05752 147.7
[M+Na-2H]- 241.03947 154.0
[M]+ 220.06425 149.1
[M]- 220.06535 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No patent data available for this compound.