CID 115009365

2126161-37-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.06636 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07364 146.2
[M+Na]+ 256.05558 154.8
[M-H]- 232.05908 143.7
[M+NH4]+ 251.10018 162.2
[M+K]+ 272.02952 152.1
[M+H-H2O]+ 216.06362 138.2
[M+HCOO]- 278.06456 160.9
[M+CH3COO]- 292.08021 187.9
[M+Na-2H]- 254.04103 151.4
[M]+ 233.06581 142.3
[M]- 233.06691 142.3
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.