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]+ 182.02236 127.7
[M+Na]+ 204.00430 138.9
[M-H]- 180.00780 124.4
[M+NH4]+ 199.04890 146.1
[M+K]+ 219.97824 135.2
[M+H-H2O]+ 164.01234 119.1
[M+HCOO]- 226.01328 145.0
[M+CH3COO]- 240.02893 176.6
[M+Na-2H]- 201.98975 133.9
[M]+ 181.01453 121.3
[M]- 181.01563 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