CID 22989707

5-(trifluoromethyl)pyridin-3-ol

Structural Information

Molecular Formula
C6H4F3NO
SMILES
C1=C(C=NC=C1O)C(F)(F)F
InChI
InChI=1S/C6H4F3NO/c7-6(8,9)4-1-5(11)3-10-2-4/h1-3,11H
InChIKey
YUUZFMWMDPHTQS-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

260
Patents

163.0245 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.031776 126.3
[M+Na]+ 186.013718 136.2
[M-H]- 162.017224 124.0
[M+NH4]+ 181.058323 145.2
[M+K]+ 201.987658 133.6
[M+H-H2O]+ 146.021760 118.4
[M+HCOO]- 208.022701 144.5
[M+CH3COO]- 222.038351 173.3
[M+Na-2H]- 183.999166 133.9
[M]+ 163.02395142 121.4
[M]- 163.02504858 121.4
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

patents stripe