CID 4270263

1-(4-fluorophenyl)-5-methyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C11H9FN2O2
SMILES
CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C11H9FN2O2/c1-7-10(11(15)16)6-13-14(7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,15,16)
InChIKey
KBQWFOMDKNVSAD-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-5-methylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
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 144.3
[M+Na]+ 243.054018 154.5
[M-H]- 219.057524 146.8
[M+NH4]+ 238.098623 161.4
[M+K]+ 259.027958 150.8
[M+H-H2O]+ 203.062060 136.0
[M+HCOO]- 265.063001 165.0
[M+CH3COO]- 279.078651 185.9
[M+Na-2H]- 241.039466 147.1
[M]+ 220.06425142 144.0
[M]- 220.06534858 144.0
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