CID 14576147

123345-03-9

Structural Information

Molecular Formula
C13H11FN2O2
SMILES
C1CC2=C(C1)N(N=C2C(=O)O)C3=CC=C(C=C3)F
InChI
InChI=1S/C13H11FN2O2/c14-8-4-6-9(7-5-8)16-11-3-1-2-10(11)12(15-16)13(17)18/h4-7H,1-3H2,(H,17,18)
InChIKey
YOUOTTVHRHEWFF-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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.

Patent stripe

patents stripe