CID 6485414

957487-30-8

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 157.2
[M+Na]+ 257.05083 164.4
[M+NH4]+ 252.09543 161.2
[M+K]+ 273.02477 164.3
[M-H]- 233.05433 158.4
[M+Na-2H]- 255.03628 160.7
[M]+ 234.06106 158.9
[M]- 234.06216 158.9
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