CID 119053468

1855906-97-6

Structural Information

Molecular Formula
C10H13F3N2O2
SMILES
CCOC(=O)C(C)N1C=C(C(=N1)C(F)(F)F)C
InChI
InChI=1S/C10H13F3N2O2/c1-4-17-9(16)7(3)15-5-6(2)8(14-15)10(11,12)13/h5,7H,4H2,1-3H3
InChIKey
UJOVULNTAPNQFR-UHFFFAOYSA-N
Compound name
ethyl 2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.09291 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10019 151.2
[M+Na]+ 273.08213 160.4
[M-H]- 249.08563 148.9
[M+NH4]+ 268.12673 168.0
[M+K]+ 289.05607 158.8
[M+H-H2O]+ 233.09017 142.3
[M+HCOO]- 295.09111 167.5
[M+CH3COO]- 309.10676 194.1
[M+Na-2H]- 271.06758 152.0
[M]+ 250.09236 150.7
[M]- 250.09346 150.7
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.