CID 165946886

3-bromo-1-(difluoromethyl)-1,4-dihydropyridin-4-one

Structural Information

Molecular Formula
C6H4BrF2NO
SMILES
C1=CN(C=C(C1=O)Br)C(F)F
InChI
InChI=1S/C6H4BrF2NO/c7-4-3-10(6(8)9)2-1-5(4)11/h1-3,6H
InChIKey
KIEDKUMUORGDHF-UHFFFAOYSA-N
Compound name
3-bromo-1-(difluoromethyl)pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.94443 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.95171 132.8
[M+Na]+ 245.93365 146.4
[M-H]- 221.93715 136.1
[M+NH4]+ 240.97825 153.8
[M+K]+ 261.90759 135.5
[M+H-H2O]+ 205.94169 131.4
[M+HCOO]- 267.94263 152.0
[M+CH3COO]- 281.95828 185.1
[M+Na-2H]- 243.91910 139.9
[M]+ 222.94388 149.4
[M]- 222.94498 149.4
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

No patent data available for this compound.