CID 53403063

1-(8-bromoquinolin-2-yl)ethanone

Structural Information

Molecular Formula
C11H8BrNO
SMILES
CC(=O)C1=NC2=C(C=CC=C2Br)C=C1
InChI
InChI=1S/C11H8BrNO/c1-7(14)10-6-5-8-3-2-4-9(12)11(8)13-10/h2-6H,1H3
InChIKey
RFRRSHWJBPVXBR-UHFFFAOYSA-N
Compound name
1-(8-bromoquinolin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

248.97893 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.98621 142.0
[M+Na]+ 271.96815 147.4
[M+NH4]+ 267.01275 147.6
[M+K]+ 287.94209 146.6
[M-H]- 247.97165 143.2
[M+Na-2H]- 269.95360 146.7
[M]+ 248.97838 142.0
[M]- 248.97948 142.0
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