CID 66015109

2-[5-chloro-3-(trifluoromethyl)-1h-pyrazol-1-yl]acetic acid

Structural Information

Molecular Formula
C6H4ClF3N2O2
SMILES
C1=C(N(N=C1C(F)(F)F)CC(=O)O)Cl
InChI
InChI=1S/C6H4ClF3N2O2/c7-4-1-3(6(8,9)10)11-12(4)2-5(13)14/h1H,2H2,(H,13,14)
InChIKey
KVTKHRBWBDSYHB-UHFFFAOYSA-N
Compound name
2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

227.99133 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.99861 144.0
[M+Na]+ 250.98055 151.6
[M+NH4]+ 246.02515 147.8
[M+K]+ 266.95449 150.2
[M-H]- 226.98405 137.8
[M+Na-2H]- 248.96600 145.6
[M]+ 227.99078 143.0
[M]- 227.99188 143.0
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