CID 28974121

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

Structural Information

Molecular Formula
C13H10ClFN2O2
SMILES
C1CC2=C(C1)N(N=C2C(=O)O)C3=C(C(=CC=C3)Cl)F
InChI
InChI=1S/C13H10ClFN2O2/c14-8-4-2-6-10(11(8)15)17-9-5-1-3-7(9)12(16-17)13(18)19/h2,4,6H,1,3,5H2,(H,18,19)
InChIKey
ZLYDWQYJOMPLSW-UHFFFAOYSA-N
Compound name
1-(3-chloro-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

280.04147 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.048746 159.7
[M+Na]+ 303.030688 170.7
[M-H]- 279.034194 163.2
[M+NH4]+ 298.075293 178.1
[M+K]+ 319.004628 164.9
[M+H-H2O]+ 263.038730 152.3
[M+HCOO]- 325.039671 174.1
[M+CH3COO]- 339.055321 171.8
[M+Na-2H]- 301.016136 159.3
[M]+ 280.04092142 160.8
[M]- 280.04201858 160.8
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.