CID 16773904

1-(2-fluorophenyl)-1h,4h,5h,6h-cyclopenta[c]pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C13H11FN2O2
SMILES
C1CC2=C(C1)N(N=C2C(=O)O)C3=CC=CC=C3F
InChI
InChI=1S/C13H11FN2O2/c14-9-5-1-2-6-11(9)16-10-7-3-4-8(10)12(15-16)13(17)18/h1-2,5-6H,3-4,7H2,(H,17,18)
InChIKey
FJPKVQQEPGUFCG-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.08046 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08774 154.5
[M+Na]+ 269.06968 165.4
[M+NH4]+ 264.11428 161.5
[M+K]+ 285.04362 163.6
[M-H]- 245.07318 154.7
[M+Na-2H]- 267.05513 158.8
[M]+ 246.07991 155.8
[M]- 246.08101 155.8
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.

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No patent data available for this compound.