CID 38384

2-bromo-1-(2-pyridinyl)-1-ethanone hydrobromide

Structural Information

Molecular Formula
C7H6BrNO
SMILES
C1=CC=NC(=C1)C(=O)CBr
InChI
InChI=1S/C7H6BrNO/c8-5-7(10)6-3-1-2-4-9-6/h1-4H,5H2
InChIKey
DNPMOGQMEOPVNT-UHFFFAOYSA-N
Compound name
2-bromo-1-pyridin-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

964
Patents

198.96329 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.97057 130.8
[M+Na]+ 221.95251 142.3
[M-H]- 197.95601 135.9
[M+NH4]+ 216.99711 152.2
[M+K]+ 237.92645 132.1
[M+H-H2O]+ 181.96055 130.8
[M+HCOO]- 243.96149 151.8
[M+CH3COO]- 257.97714 180.6
[M+Na-2H]- 219.93796 140.1
[M]+ 198.96274 149.3
[M]- 198.96384 149.3
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