CID 137698976

2-fluoro-5-(3-methyl-1h-pyrazol-4-yl)benzoic acid

Structural Information

Molecular Formula
C11H9FN2O2
SMILES
CC1=C(C=NN1)C2=CC(=C(C=C2)F)C(=O)O
InChI
InChI=1S/C11H9FN2O2/c1-6-9(5-13-14-6)7-2-3-10(12)8(4-7)11(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKey
BZHYYNIVGJPIDB-UHFFFAOYSA-N
Compound name
2-fluoro-5-(5-methyl-1H-pyrazol-4-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0648 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.072076 145.0
[M+Na]+ 243.054018 154.7
[M-H]- 219.057524 146.1
[M+NH4]+ 238.098623 161.3
[M+K]+ 259.027958 150.2
[M+H-H2O]+ 203.062060 137.0
[M+HCOO]- 265.063001 164.1
[M+CH3COO]- 279.078651 183.4
[M+Na-2H]- 241.039466 147.3
[M]+ 220.06425142 142.8
[M]- 220.06534858 142.8
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.