CID 6485414

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

Structural Information

Molecular Formula
C9H9F3N2O2
SMILES
C1CC1C2=CC(=NN2CC(=O)O)C(F)(F)F
InChI
InChI=1S/C9H9F3N2O2/c10-9(11,12)7-3-6(5-1-2-5)14(13-7)4-8(15)16/h3,5H,1-2,4H2,(H,15,16)
InChIKey
WAWOVUXKYBKOBQ-UHFFFAOYSA-N
Compound name
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

234.06161 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.068886 144.9
[M+Na]+ 257.050828 155.7
[M-H]- 233.054334 145.2
[M+NH4]+ 252.095433 156.5
[M+K]+ 273.024768 150.8
[M+H-H2O]+ 217.058870 135.6
[M+HCOO]- 279.059811 161.4
[M+CH3COO]- 293.075461 189.9
[M+Na-2H]- 255.036276 147.1
[M]+ 234.06106142 144.1
[M]- 234.06215858 144.1
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

patents stripe