CID 54753473

4-chloro-3-nitro-6-(trifluoromethyl)pyridin-2(1h)-one

Structural Information

Molecular Formula
C6H2ClF3N2O3
SMILES
C1=C(NC(=O)C(=C1Cl)[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C6H2ClF3N2O3/c7-2-1-3(6(8,9)10)11-5(13)4(2)12(14)15/h1H,(H,11,13)
InChIKey
DMOGSJFOYJCUTB-UHFFFAOYSA-N
Compound name
4-chloro-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

241.97061 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.97789 136.6
[M+Na]+ 264.95983 147.7
[M-H]- 240.96333 134.8
[M+NH4]+ 260.00443 152.7
[M+K]+ 280.93377 139.1
[M+H-H2O]+ 224.96787 134.4
[M+HCOO]- 286.96881 151.8
[M+CH3COO]- 300.98446 179.6
[M+Na-2H]- 262.94528 144.2
[M]+ 241.97006 132.8
[M]- 241.97116 132.8
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