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

6
Patents

236.96008 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.96736 136.8
[M+Na]+ 259.94930 150.9
[M-H]- 235.95280 140.2
[M+NH4]+ 254.99390 157.5
[M+K]+ 275.92324 139.7
[M+H-H2O]+ 219.95734 135.3
[M+HCOO]- 281.95828 155.7
[M+CH3COO]- 295.97393 189.0
[M+Na-2H]- 257.93475 142.6
[M]+ 236.95953 154.1
[M]- 236.96063 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