CID 16777060

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

Structural Information

Molecular Formula
C14H11F3N2O2
SMILES
C1CC2=C(C1)N(N=C2C(=O)O)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C14H11F3N2O2/c15-14(16,17)8-3-1-4-9(7-8)19-11-6-2-5-10(11)12(18-19)13(20)21/h1,3-4,7H,2,5-6H2,(H,20,21)
InChIKey
BCKKDVXQFGXEFY-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.07727 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08455 163.0
[M+Na]+ 319.06649 172.4
[M-H]- 295.06999 163.9
[M+NH4]+ 314.11109 179.6
[M+K]+ 335.04043 167.7
[M+H-H2O]+ 279.07453 153.9
[M+HCOO]- 341.07547 178.1
[M+CH3COO]- 355.09112 198.2
[M+Na-2H]- 317.05194 163.2
[M]+ 296.07672 159.3
[M]- 296.07782 159.3
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.