CID 84648925

5-fluoro-1-methyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C5H5FN2O2
SMILES
CN1C(=C(C=N1)C(=O)O)F
InChI
InChI=1S/C5H5FN2O2/c1-8-4(6)3(2-7-8)5(9)10/h2H,1H3,(H,9,10)
InChIKey
HPJHSHAZYYNSCB-UHFFFAOYSA-N
Compound name
5-fluoro-1-methylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

144.03351 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04079 123.6
[M+Na]+ 167.02273 134.0
[M-H]- 143.02623 122.8
[M+NH4]+ 162.06733 143.8
[M+K]+ 182.99667 132.7
[M+H-H2O]+ 127.03077 116.7
[M+HCOO]- 189.03171 144.7
[M+CH3COO]- 203.04736 171.1
[M+Na-2H]- 165.00818 127.8
[M]+ 144.03296 123.0
[M]- 144.03406 123.0
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

patents stripe