CID 115013975

5-fluoro-1-(propan-2-yl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H9FN2O2
SMILES
CC(C)N1C(=C(C=N1)C(=O)O)F
InChI
InChI=1S/C7H9FN2O2/c1-4(2)10-6(8)5(3-9-10)7(11)12/h3-4H,1-2H3,(H,11,12)
InChIKey
MCWWNHCOEUXJLJ-UHFFFAOYSA-N
Compound name
5-fluoro-1-propan-2-ylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0648 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07208 136.0
[M+Na]+ 195.05402 145.4
[M+NH4]+ 190.09862 141.6
[M+K]+ 211.02796 143.8
[M-H]- 171.05752 133.0
[M+Na-2H]- 193.03947 138.7
[M]+ 172.06425 136.0
[M]- 172.06535 136.0
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 literature data available for this compound.

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No patent data available for this compound.