CID 18988862

2-(trifluoromethyl)pyridin-3-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
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 133.6
[M+Na]+ 186.01372 143.3
[M+NH4]+ 181.05832 139.3
[M+K]+ 201.98766 138.7
[M-H]- 162.01722 129.9
[M+Na-2H]- 183.99917 138.3
[M]+ 163.02395 133.7
[M]- 163.02505 133.7
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