CID 44818650

1187669-34-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

212.97893 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.986206 134.7
[M+Na]+ 235.968148 146.7
[M-H]- 211.971654 140.0
[M+NH4]+ 231.012753 155.9
[M+K]+ 251.942088 136.3
[M+H-H2O]+ 195.976190 134.7
[M+HCOO]- 257.977131 155.4
[M+CH3COO]- 271.992781 184.5
[M+Na-2H]- 233.953596 142.8
[M]+ 212.97838142 153.9
[M]- 212.97947858 153.9
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