CID 146109758

2122048-41-1

Structural Information

Molecular Formula
C10H10F3NO2
SMILES
CC(C1=NC=C(C=C1)C(F)(F)F)C(=O)OC
InChI
InChI=1S/C10H10F3NO2/c1-6(9(15)16-2)8-4-3-7(5-14-8)10(11,12)13/h3-6H,1-2H3
InChIKey
DHJJWPJNAVQFLG-UHFFFAOYSA-N
Compound name
methyl 2-[5-(trifluoromethyl)pyridin-2-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.06636 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07364 145.9
[M+Na]+ 256.05558 154.4
[M-H]- 232.05908 144.6
[M+NH4]+ 251.10018 162.6
[M+K]+ 272.02952 152.6
[M+H-H2O]+ 216.06362 137.1
[M+HCOO]- 278.06456 162.8
[M+CH3COO]- 292.08021 190.2
[M+Na-2H]- 254.04103 149.5
[M]+ 233.06581 143.8
[M]- 233.06691 143.8
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.