CID 79366346

1540754-57-1

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]+ 159.05643 128.9
[M+Na]+ 181.03837 137.7
[M-H]- 157.04187 127.7
[M+NH4]+ 176.08297 148.1
[M+K]+ 197.01231 136.6
[M+H-H2O]+ 141.04641 121.6
[M+HCOO]- 203.04735 148.6
[M+CH3COO]- 217.06300 173.8
[M+Na-2H]- 179.02382 132.1
[M]+ 158.04860 127.7
[M]- 158.04970 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.