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[d]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]+ 247.087736 152.4
[M+Na]+ 269.069678 161.8
[M-H]- 245.073184 155.8
[M+NH4]+ 264.114283 171.0
[M+K]+ 285.043618 157.6
[M+H-H2O]+ 229.077720 144.5
[M+HCOO]- 291.078661 171.6
[M+CH3COO]- 305.094311 164.7
[M+Na-2H]- 267.055126 153.3
[M]+ 246.07991142 151.1
[M]- 246.08100858 151.1
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.