CID 22049783

435273-53-3

Structural Information

Molecular Formula
C8H8BrNO
SMILES
CC1=C(C=NC=C1)C(=O)CBr
InChI
InChI=1S/C8H8BrNO/c1-6-2-3-10-5-7(6)8(11)4-9/h2-3,5H,4H2,1H3
InChIKey
YWTJLRUGIICPMN-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-methylpyridin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

212.97893 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.98621 135.4
[M+Na]+ 235.96815 139.3
[M+NH4]+ 231.01275 140.2
[M+K]+ 251.94209 139.3
[M-H]- 211.97165 135.5
[M+Na-2H]- 233.95360 139.5
[M]+ 212.97838 134.8
[M]- 212.97948 134.8
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

patents stripe