CID 2783388

5-hydroxy-2-(trifluoromethyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

806
Patents

163.0245 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03178 126.3
[M+Na]+ 186.01372 136.2
[M-H]- 162.01722 124.0
[M+NH4]+ 181.05832 145.2
[M+K]+ 201.98766 133.6
[M+H-H2O]+ 146.02176 118.4
[M+HCOO]- 208.02270 144.5
[M+CH3COO]- 222.03835 173.3
[M+Na-2H]- 183.99917 133.9
[M]+ 163.02395 121.4
[M]- 163.02505 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