CID 25324689

3-(2-bromoacetyl)-6-(trifluoromethyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C8H5BrF3NO2
SMILES
C1=C(C(=O)NC(=C1)C(F)(F)F)C(=O)CBr
InChI
InChI=1S/C8H5BrF3NO2/c9-3-5(14)4-1-2-6(8(10,11)12)13-7(4)15/h1-2H,3H2,(H,13,15)
InChIKey
UESGIORATZLCQR-UHFFFAOYSA-N
Compound name
3-(2-bromoacetyl)-6-(trifluoromethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

282.9456 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.95288 158.9
[M+Na]+ 305.93482 159.4
[M+NH4]+ 300.97942 160.0
[M+K]+ 321.90876 160.4
[M-H]- 281.93832 153.4
[M+Na-2H]- 303.92027 158.6
[M]+ 282.94505 156.0
[M]- 282.94615 156.0
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