CID 54595655

2-[1-(4-fluorophenyl)-1h-pyrazol-3-yl]acetic acid

Structural Information

Molecular Formula
C11H9FN2O2
SMILES
C1=CC(=CC=C1N2C=CC(=N2)CC(=O)O)F
InChI
InChI=1S/C11H9FN2O2/c12-8-1-3-10(4-2-8)14-6-5-9(13-14)7-11(15)16/h1-6H,7H2,(H,15,16)
InChIKey
KKIHTCNLUMKUPY-UHFFFAOYSA-N
Compound name
2-[1-(4-fluorophenyl)pyrazol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0648 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07208 147.6
[M+Na]+ 243.05402 159.4
[M+NH4]+ 238.09862 153.9
[M+K]+ 259.02796 155.8
[M-H]- 219.05752 147.6
[M+Na-2H]- 241.03947 153.8
[M]+ 220.06425 148.9
[M]- 220.06535 148.9
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

No patent data available for this compound.