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 149.3
[M+Na]+ 305.93482 162.2
[M-H]- 281.93832 149.9
[M+NH4]+ 300.97942 167.1
[M+K]+ 321.90876 149.7
[M+H-H2O]+ 265.94286 147.0
[M+HCOO]- 327.94380 164.2
[M+CH3COO]- 341.95945 191.6
[M+Na-2H]- 303.92027 154.6
[M]+ 282.94505 163.6
[M]- 282.94615 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