CID 53217378

3-bromo-1-methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C7H5BrF3NO
SMILES
CN1C=C(C=C(C1=O)Br)C(F)(F)F
InChI
InChI=1S/C7H5BrF3NO/c1-12-3-4(7(9,10)11)2-5(8)6(12)13/h2-3H,1H3
InChIKey
FTCGYBIUAXXLHH-UHFFFAOYSA-N
Compound name
3-bromo-1-methyl-5-(trifluoromethyl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

254.95065 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.957926 142.0
[M+Na]+ 277.939868 156.8
[M-H]- 253.943374 144.4
[M+NH4]+ 272.984473 162.1
[M+K]+ 293.913808 145.1
[M+H-H2O]+ 237.947910 140.1
[M+HCOO]- 299.948851 159.2
[M+CH3COO]- 313.964501 190.5
[M+Na-2H]- 275.925316 148.8
[M]+ 254.95010142 158.0
[M]- 254.95119858 158.0
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