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]+ 221.07208 148.1
[M+Na]+ 243.05402 159.8
[M+NH4]+ 238.09862 154.1
[M+K]+ 259.02796 156.6
[M-H]- 219.05752 147.6
[M+Na-2H]- 241.03947 153.5
[M]+ 220.06425 149.3
[M]- 220.06535 149.3
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.

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No patent data available for this compound.