CID 16777534

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

Structural Information

Molecular Formula
C14H10ClF3N2O2
SMILES
C1CC2=C(C1)N(N=C2C(=O)O)C3=C(C=CC(=C3)C(F)(F)F)Cl
InChI
InChI=1S/C14H10ClF3N2O2/c15-9-5-4-7(14(16,17)18)6-11(9)20-10-3-1-2-8(10)12(19-20)13(21)22/h4-6H,1-3H2,(H,21,22)
InChIKey
BOJUOGNLBNUJAD-UHFFFAOYSA-N
Compound name
1-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.0383 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.045576 169.7
[M+Na]+ 353.027518 180.7
[M-H]- 329.031024 170.7
[M+NH4]+ 348.072123 186.0
[M+K]+ 369.001458 174.3
[M+H-H2O]+ 313.035560 161.0
[M+HCOO]- 375.036501 180.0
[M+CH3COO]- 389.052151 203.1
[M+Na-2H]- 351.012966 168.7
[M]+ 330.03775142 168.5
[M]- 330.03884858 168.5
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.