CID 79366346

2-fluoro-2-(1-methyl-1h-pyrazol-5-yl)acetic acid

Structural Information

Molecular Formula
C6H7FN2O2
SMILES
CN1C(=CC=N1)C(C(=O)O)F
InChI
InChI=1S/C6H7FN2O2/c1-9-4(2-3-8-9)5(7)6(10)11/h2-3,5H,1H3,(H,10,11)
InChIKey
JCQWSJYETRAZKY-UHFFFAOYSA-N
Compound name
2-fluoro-2-(2-methylpyrazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.04915 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.056426 128.9
[M+Na]+ 181.038368 137.7
[M-H]- 157.041874 127.7
[M+NH4]+ 176.082973 148.1
[M+K]+ 197.012308 136.6
[M+H-H2O]+ 141.046410 121.6
[M+HCOO]- 203.047351 148.6
[M+CH3COO]- 217.063001 173.8
[M+Na-2H]- 179.023816 132.1
[M]+ 158.04860142 127.7
[M]- 158.04969858 127.7
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

No patent data available for this compound.