CID 72206933

1196152-59-6

Structural Information

Molecular Formula
C7H6BrNO2
SMILES
CC(=O)C1=CC(=NC=C1O)Br
InChI
InChI=1S/C7H6BrNO2/c1-4(10)5-2-7(8)9-3-6(5)11/h2-3,11H,1H3
InChIKey
PQJJPTARULSWAN-UHFFFAOYSA-N
Compound name
1-(2-bromo-5-hydroxypyridin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

214.95819 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.96547 134.8
[M+Na]+ 237.94741 138.4
[M+NH4]+ 232.99201 138.9
[M+K]+ 253.92135 139.4
[M-H]- 213.95091 134.1
[M+Na-2H]- 235.93286 138.0
[M]+ 214.95764 133.8
[M]- 214.95874 133.8
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