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

87
Patents

254.95065 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.95793 142.0
[M+Na]+ 277.93987 156.8
[M-H]- 253.94337 144.4
[M+NH4]+ 272.98447 162.1
[M+K]+ 293.91381 145.1
[M+H-H2O]+ 237.94791 140.1
[M+HCOO]- 299.94885 159.2
[M+CH3COO]- 313.96450 190.5
[M+Na-2H]- 275.92532 148.8
[M]+ 254.95010 158.0
[M]- 254.95120 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