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

6
Patents

282.9456 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.952876 149.3
[M+Na]+ 305.934818 162.2
[M-H]- 281.938324 149.9
[M+NH4]+ 300.979423 167.1
[M+K]+ 321.908758 149.7
[M+H-H2O]+ 265.942860 147.0
[M+HCOO]- 327.943801 164.2
[M+CH3COO]- 341.959451 191.6
[M+Na-2H]- 303.920266 154.6
[M]+ 282.94505142 163.6
[M]- 282.94614858 163.6
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