CID 10242366

161871-69-8

Structural Information

Molecular Formula
C7H7BrN2O
SMILES
CC(=O)C1=CC(=NC=C1N)Br
InChI
InChI=1S/C7H7BrN2O/c1-4(11)5-2-7(8)10-3-6(5)9/h2-3H,9H2,1H3
InChIKey
OOVYUSSUGYCYEJ-UHFFFAOYSA-N
Compound name
1-(5-amino-2-bromo-4-pyridinyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

213.97418 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.981456 134.7
[M+Na]+ 236.963398 146.9
[M-H]- 212.966904 139.8
[M+NH4]+ 232.008003 155.4
[M+K]+ 252.937338 135.9
[M+H-H2O]+ 196.971440 134.1
[M+HCOO]- 258.972381 155.9
[M+CH3COO]- 272.988031 186.6
[M+Na-2H]- 234.948846 141.7
[M]+ 213.97363142 152.1
[M]- 213.97472858 152.1
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