CID 130066094

1427397-40-7

Structural Information

Molecular Formula
C9H6ClFN2O2
SMILES
COC(=O)C1=NN2C=C(C(=CC2=C1)Cl)F
InChI
InChI=1S/C9H6ClFN2O2/c1-15-9(14)8-3-5-2-6(10)7(11)4-13(5)12-8/h2-4H,1H3
InChIKey
NHLFEULZSJSQNY-UHFFFAOYSA-N
Compound name
methyl 5-chloro-6-fluoropyrazolo[1,5-a]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.01018 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.017456 141.2
[M+Na]+ 250.999398 154.5
[M-H]- 227.002904 143.0
[M+NH4]+ 246.044003 161.0
[M+K]+ 266.973338 150.2
[M+H-H2O]+ 211.007440 134.2
[M+HCOO]- 273.008381 159.1
[M+CH3COO]- 287.024031 187.1
[M+Na-2H]- 248.984846 146.6
[M]+ 228.00963142 146.6
[M]- 228.01072858 146.6
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.