CID 53435090

3-fluoro-4-(trifluoromethyl)pyridin-2-ol

Structural Information

Molecular Formula
C6H3F4NO
SMILES
C1=CNC(=O)C(=C1C(F)(F)F)F
InChI
InChI=1S/C6H3F4NO/c7-4-3(6(8,9)10)1-2-11-5(4)12/h1-2H,(H,11,12)
InChIKey
CUVQCPUTFJFSFU-UHFFFAOYSA-N
Compound name
3-fluoro-4-(trifluoromethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

181.01508 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.022356 127.7
[M+Na]+ 204.004298 138.9
[M-H]- 180.007804 124.4
[M+NH4]+ 199.048903 146.1
[M+K]+ 219.978238 135.2
[M+H-H2O]+ 164.012340 119.1
[M+HCOO]- 226.013281 145.0
[M+CH3COO]- 240.028931 176.6
[M+Na-2H]- 201.989746 133.9
[M]+ 181.01453142 121.3
[M]- 181.01562858 121.3
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