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 145.0
[M+Na]+ 243.05402 154.7
[M-H]- 219.05752 146.1
[M+NH4]+ 238.09862 161.3
[M+K]+ 259.02796 150.2
[M+H-H2O]+ 203.06206 137.0
[M+HCOO]- 265.06300 164.1
[M+CH3COO]- 279.07865 183.4
[M+Na-2H]- 241.03947 147.3
[M]+ 220.06425 142.8
[M]- 220.06535 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.