CID 165987836

5-(2,2,2-trifluoroethyl)pyridin-3-ol

Structural Information

Molecular Formula
C7H6F3NO
SMILES
C1=C(C=NC=C1O)CC(F)(F)F
InChI
InChI=1S/C7H6F3NO/c8-7(9,10)2-5-1-6(12)4-11-3-5/h1,3-4,12H,2H2
InChIKey
WFJRGBYMZGZJOA-UHFFFAOYSA-N
Compound name
5-(2,2,2-trifluoroethyl)pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.04015 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.047426 131.0
[M+Na]+ 200.029368 140.5
[M-H]- 176.032874 128.5
[M+NH4]+ 195.073973 149.4
[M+K]+ 216.003308 137.6
[M+H-H2O]+ 160.037410 122.9
[M+HCOO]- 222.038351 148.9
[M+CH3COO]- 236.054001 176.4
[M+Na-2H]- 198.014816 138.0
[M]+ 177.03960142 126.5
[M]- 177.04069858 126.5
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.