CID 67455664

6-(trifluoromethyl)pyridine-2,4-diol

Structural Information

Molecular Formula
C6H4F3NO2
SMILES
C1=C(C=C(NC1=O)C(F)(F)F)O
InChI
InChI=1S/C6H4F3NO2/c7-6(8,9)4-1-3(11)2-5(12)10-4/h1-2H,(H2,10,11,12)
InChIKey
HMNGHOZGHIWTLQ-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

179.01941 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.02669 128.9
[M+Na]+ 202.00863 139.5
[M-H]- 178.01213 125.6
[M+NH4]+ 197.05323 146.7
[M+K]+ 217.98257 135.9
[M+H-H2O]+ 162.01667 121.4
[M+HCOO]- 224.01761 146.0
[M+CH3COO]- 238.03326 173.1
[M+Na-2H]- 199.99408 135.3
[M]+ 179.01886 123.3
[M]- 179.01996 123.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe