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

228
Patents

158.04915 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.05643 127.7
[M+Na]+ 181.03837 138.6
[M-H]- 157.04187 127.1
[M+NH4]+ 176.08297 147.7
[M+K]+ 197.01231 137.1
[M+H-H2O]+ 141.04641 121.0
[M+HCOO]- 203.04735 148.4
[M+CH3COO]- 217.06300 175.3
[M+Na-2H]- 179.02382 130.7
[M]+ 158.04860 127.9
[M]- 158.04970 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