CID 130506797

Lithium(1+) 2-[2-(trifluoromethyl)pyridin-4-yl]propanoate

Structural Information

Molecular Formula
C9H8F3NO2
SMILES
CC(C1=CC(=NC=C1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C9H8F3NO2/c1-5(8(14)15)6-2-3-13-7(4-6)9(10,11)12/h2-5H,1H3,(H,14,15)
InChIKey
AGJCYZGJEXZNOB-UHFFFAOYSA-N
Compound name
2-[2-(trifluoromethyl)pyridin-4-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.05072 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05800 148.6
[M+Na]+ 242.03994 156.6
[M+NH4]+ 237.08454 152.7
[M+K]+ 258.01388 153.2
[M-H]- 218.04344 143.7
[M+Na-2H]- 240.02539 151.3
[M]+ 219.05017 147.9
[M]- 219.05127 147.9
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

No patent data available for this compound.