CID 6485415

957292-28-3

Structural Information

Molecular Formula
C10H11F3N2O2
SMILES
CC(C(=O)O)N1C(=CC(=N1)C(F)(F)F)C2CC2
InChI
InChI=1S/C10H11F3N2O2/c1-5(9(16)17)15-7(6-2-3-6)4-8(14-15)10(11,12)13/h4-6H,2-3H2,1H3,(H,16,17)
InChIKey
RVVYGXLNVQSKSI-UHFFFAOYSA-N
Compound name
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.07726 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08454 148.0
[M+Na]+ 271.06648 158.1
[M-H]- 247.06998 148.3
[M+NH4]+ 266.11108 159.1
[M+K]+ 287.04042 153.5
[M+H-H2O]+ 231.07452 138.8
[M+HCOO]- 293.07546 163.3
[M+CH3COO]- 307.09111 193.6
[M+Na-2H]- 269.05193 148.8
[M]+ 248.07671 147.0
[M]- 248.07781 147.0
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

No patent data available for this compound.