CID 83133140

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

Structural Information

Molecular Formula
C7H6BrF2NO
SMILES
CC1=CC(=CN(C1=O)C(F)F)Br
InChI
InChI=1S/C7H6BrF2NO/c1-4-2-5(8)3-11(6(4)12)7(9)10/h2-3,7H,1H3
InChIKey
QHASDTVBBDEWKZ-UHFFFAOYSA-N
Compound name
5-bromo-1-(difluoromethyl)-3-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

236.96008 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.967356 136.8
[M+Na]+ 259.949298 150.9
[M-H]- 235.952804 140.2
[M+NH4]+ 254.993903 157.5
[M+K]+ 275.923238 139.7
[M+H-H2O]+ 219.957340 135.3
[M+HCOO]- 281.958281 155.7
[M+CH3COO]- 295.973931 189.0
[M+Na-2H]- 257.934746 142.6
[M]+ 236.95953142 154.1
[M]- 236.96062858 154.1
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