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)-2-pyridinyl]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]+ 234.073636 145.9
[M+Na]+ 256.055578 154.4
[M-H]- 232.059084 144.6
[M+NH4]+ 251.100183 162.6
[M+K]+ 272.029518 152.6
[M+H-H2O]+ 216.063620 137.1
[M+HCOO]- 278.064561 162.8
[M+CH3COO]- 292.080211 190.2
[M+Na-2H]- 254.041026 149.5
[M]+ 233.06581142 143.8
[M]- 233.06690858 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.