CID 79877639

2-(propan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C10H10F3NO3
SMILES
CC(C)OC1=C(C=CC(=N1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C10H10F3NO3/c1-5(2)17-8-6(9(15)16)3-4-7(14-8)10(11,12)13/h3-5H,1-2H3,(H,15,16)
InChIKey
LPTFRCQWMJZSCV-UHFFFAOYSA-N
Compound name
2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.06128 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06856 156.0
[M+Na]+ 272.05050 163.7
[M+NH4]+ 267.09510 159.5
[M+K]+ 288.02444 160.8
[M-H]- 248.05400 150.6
[M+Na-2H]- 270.03595 157.8
[M]+ 249.06073 155.1
[M]- 249.06183 155.1
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.