CID 119031658

5-bromo-3-chloro-1-(difluoromethyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C6H3BrClF2NO
SMILES
C1=C(C(=O)N(C=C1Br)C(F)F)Cl
InChI
InChI=1S/C6H3BrClF2NO/c7-3-1-4(8)5(12)11(2-3)6(9)10/h1-2,6H
InChIKey
WRDYMDCPCPHWFN-UHFFFAOYSA-N
Compound name
5-bromo-3-chloro-1-(difluoromethyl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.90546 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.91274 135.6
[M+Na]+ 279.89468 151.0
[M-H]- 255.89818 139.1
[M+NH4]+ 274.93928 156.4
[M+K]+ 295.86862 138.1
[M+H-H2O]+ 239.90272 135.0
[M+HCOO]- 301.90366 150.5
[M+CH3COO]- 315.91931 189.7
[M+Na-2H]- 277.88013 141.8
[M]+ 256.90491 154.4
[M]- 256.90601 154.4
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

No patent data available for this compound.