CID 58356389

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

144.03351 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.040786 123.6
[M+Na]+ 167.022728 134.0
[M-H]- 143.026234 122.8
[M+NH4]+ 162.067333 143.8
[M+K]+ 182.996668 132.7
[M+H-H2O]+ 127.030770 116.7
[M+HCOO]- 189.031711 144.7
[M+CH3COO]- 203.047361 171.1
[M+Na-2H]- 165.008176 127.8
[M]+ 144.03296142 123.0
[M]- 144.03405858 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