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-bromopyridin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

213.97418 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.98146 134.7
[M+Na]+ 236.96340 146.9
[M-H]- 212.96690 139.8
[M+NH4]+ 232.00800 155.4
[M+K]+ 252.93734 135.9
[M+H-H2O]+ 196.97144 134.1
[M+HCOO]- 258.97238 155.9
[M+CH3COO]- 272.98803 186.6
[M+Na-2H]- 234.94885 141.7
[M]+ 213.97363 152.1
[M]- 213.97473 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