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 141.6
[M+Na]+ 242.03994 149.9
[M-H]- 218.04344 138.9
[M+NH4]+ 237.08454 158.0
[M+K]+ 258.01388 147.4
[M+H-H2O]+ 202.04798 133.2
[M+HCOO]- 264.04892 157.2
[M+CH3COO]- 278.06457 185.3
[M+Na-2H]- 240.02539 145.2
[M]+ 219.05017 137.3
[M]- 219.05127 137.3
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.