CID 4962215

2-[1-(4-fluorophenyl)-5-oxo-2,5-dihydro-1h-pyrazol-3-yl]acetic acid

Structural Information

Molecular Formula
C11H9FN2O3
SMILES
C1=CC(=CC=C1N2C(=O)C=C(N2)CC(=O)O)F
InChI
InChI=1S/C11H9FN2O3/c12-7-1-3-9(4-2-7)14-10(15)5-8(13-14)6-11(16)17/h1-5,13H,6H2,(H,16,17)
InChIKey
JNCFCIGQLXICBZ-UHFFFAOYSA-N
Compound name
2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.05972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06700 150.9
[M+Na]+ 259.04894 162.1
[M+NH4]+ 254.09354 156.0
[M+K]+ 275.02288 159.4
[M-H]- 235.05244 149.7
[M+Na-2H]- 257.03439 155.7
[M]+ 236.05917 151.7
[M]- 236.06027 151.7
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.