CID 13491780

5-bromo-2-hydroxy-3-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H3BrF3NO
SMILES
C1=C(C(=O)NC=C1Br)C(F)(F)F
InChI
InChI=1S/C6H3BrF3NO/c7-3-1-4(6(8,9)10)5(12)11-2-3/h1-2H,(H,11,12)
InChIKey
OPLCXLXORZDTMX-UHFFFAOYSA-N
Compound name
5-bromo-3-(trifluoromethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

240.93501 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.94229 138.9
[M+Na]+ 263.92423 152.8
[M-H]- 239.92773 139.8
[M+NH4]+ 258.96883 158.6
[M+K]+ 279.89817 140.5
[M+H-H2O]+ 223.93227 137.2
[M+HCOO]- 285.93321 155.1
[M+CH3COO]- 299.94886 184.1
[M+Na-2H]- 261.90968 146.3
[M]+ 240.93446 152.5
[M]- 240.93556 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

literature stripe

Patent stripe

patents stripe