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

46
Patents

234.06161 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06889 144.9
[M+Na]+ 257.05083 155.7
[M-H]- 233.05433 145.2
[M+NH4]+ 252.09543 156.5
[M+K]+ 273.02477 150.8
[M+H-H2O]+ 217.05887 135.6
[M+HCOO]- 279.05981 161.4
[M+CH3COO]- 293.07546 189.9
[M+Na-2H]- 255.03628 147.1
[M]+ 234.06106 144.1
[M]- 234.06216 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