CID 11367149

5-fluoro-1,3-dimethyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C6H7FN2O2
SMILES
CC1=NN(C(=C1C(=O)O)F)C
InChI
InChI=1S/C6H7FN2O2/c1-3-4(6(10)11)5(7)9(2)8-3/h1-2H3,(H,10,11)
InChIKey
HTMQNNFTTWLPIE-UHFFFAOYSA-N
Compound name
5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

276
Patents

158.04915 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.056426 127.7
[M+Na]+ 181.038368 138.6
[M-H]- 157.041874 127.1
[M+NH4]+ 176.082973 147.7
[M+K]+ 197.012308 137.1
[M+H-H2O]+ 141.046410 121.0
[M+HCOO]- 203.047351 148.4
[M+CH3COO]- 217.063001 175.3
[M+Na-2H]- 179.023816 130.7
[M]+ 158.04860142 127.9
[M]- 158.04969858 127.9
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