CID 24180571

4-fluoro-5-methyl-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C5H5FN2O2
SMILES
CC1=C(C(=NN1)C(=O)O)F
InChI
InChI=1S/C5H5FN2O2/c1-2-3(6)4(5(9)10)8-7-2/h1H3,(H,7,8)(H,9,10)
InChIKey
GCCITEYZWDUSEN-UHFFFAOYSA-N
Compound name
4-fluoro-5-methyl-1H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

72
Patents

144.03351 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04079 124.6
[M+Na]+ 167.02273 134.6
[M-H]- 143.02623 122.4
[M+NH4]+ 162.06733 144.1
[M+K]+ 182.99667 132.4
[M+H-H2O]+ 127.03077 117.9
[M+HCOO]- 189.03171 144.1
[M+CH3COO]- 203.04736 168.5
[M+Na-2H]- 165.00818 128.3
[M]+ 144.03296 122.1
[M]- 144.03406 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe