CID 130624526

6-bromo-3-(trifluoromethyl)pyridin-2(1h)-one

Structural Information

Molecular Formula
C6H3BrF3NO
SMILES
C1=C(C(=O)NC(=C1)Br)C(F)(F)F
InChI
InChI=1S/C6H3BrF3NO/c7-4-2-1-3(5(12)11-4)6(8,9)10/h1-2H,(H,11,12)
InChIKey
IRLKCJYBZAXIDR-UHFFFAOYSA-N
Compound name
6-bromo-3-(trifluoromethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.93501 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.942286 138.9
[M+Na]+ 263.924228 152.8
[M-H]- 239.927734 139.8
[M+NH4]+ 258.968833 158.6
[M+K]+ 279.898168 140.5
[M+H-H2O]+ 223.932270 137.2
[M+HCOO]- 285.933211 155.1
[M+CH3COO]- 299.948861 184.1
[M+Na-2H]- 261.909676 146.3
[M]+ 240.93446142 152.5
[M]- 240.93555858 152.5
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.