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

1
Patents

220.0648 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.072076 144.5
[M+Na]+ 243.054018 153.7
[M-H]- 219.057524 146.6
[M+NH4]+ 238.098623 161.2
[M+K]+ 259.027958 150.1
[M+H-H2O]+ 203.062060 135.9
[M+HCOO]- 265.063001 165.2
[M+CH3COO]- 279.078651 184.7
[M+Na-2H]- 241.039466 148.0
[M]+ 220.06425142 143.7
[M]- 220.06534858 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

patents stripe