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 144.5
[M+Na]+ 243.05402 153.7
[M-H]- 219.05752 146.6
[M+NH4]+ 238.09862 161.2
[M+K]+ 259.02796 150.1
[M+H-H2O]+ 203.06206 135.9
[M+HCOO]- 265.06300 165.2
[M+CH3COO]- 279.07865 184.7
[M+Na-2H]- 241.03947 148.0
[M]+ 220.06425 143.7
[M]- 220.06535 143.7
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.