CID 2782644

3335-46-4

Structural Information

Molecular Formula
C7H3F3N2O2
SMILES
C1=C(C(=C(NC1=O)O)C#N)C(F)(F)F
InChI
InChI=1S/C7H3F3N2O2/c8-7(9,10)4-1-5(13)12-6(14)3(4)2-11/h1H,(H2,12,13,14)
InChIKey
JRLZWXISQMMITA-UHFFFAOYSA-N
Compound name
2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

204.01466 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02194 135.1
[M+Na]+ 227.00388 146.8
[M-H]- 203.00738 131.7
[M+NH4]+ 222.04848 149.9
[M+K]+ 242.97782 143.3
[M+H-H2O]+ 187.01192 121.0
[M+HCOO]- 249.01286 148.8
[M+CH3COO]- 263.02851 191.2
[M+Na-2H]- 224.98933 139.6
[M]+ 204.01411 125.2
[M]- 204.01521 125.2
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