CID 177798064

3-bromo-1-(trifluoromethyl)-1,2-dihydropyridin-2-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.93501 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.94229 137.9
[M+Na]+ 263.92423 152.3
[M-H]- 239.92773 140.1
[M+NH4]+ 258.96883 158.3
[M+K]+ 279.89817 140.9
[M+H-H2O]+ 223.93227 136.0
[M+HCOO]- 285.93321 155.5
[M+CH3COO]- 299.94886 186.6
[M+Na-2H]- 261.90968 145.9
[M]+ 240.93446 153.3
[M]- 240.93556 153.3
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.