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)-2-pyridinyl]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]+ 234.073636 146.2
[M+Na]+ 256.055578 154.8
[M-H]- 232.059084 143.7
[M+NH4]+ 251.100183 162.2
[M+K]+ 272.029518 152.1
[M+H-H2O]+ 216.063620 138.2
[M+HCOO]- 278.064561 160.9
[M+CH3COO]- 292.080211 187.9
[M+Na-2H]- 254.041026 151.4
[M]+ 233.06581142 142.3
[M]- 233.06690858 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.