CID 155973781

3-(4-bromopyridin-2-yl)cyclobutan-1-one

Structural Information

Molecular Formula
C9H8BrNO
SMILES
C1C(CC1=O)C2=NC=CC(=C2)Br
InChI
InChI=1S/C9H8BrNO/c10-7-1-2-11-9(5-7)6-3-8(12)4-6/h1-2,5-6H,3-4H2
InChIKey
ALIJWXIOUFWNHD-UHFFFAOYSA-N
Compound name
3-(4-bromopyridin-2-yl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.97893 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.98621 136.0
[M+Na]+ 247.96815 136.8
[M+NH4]+ 243.01275 138.0
[M+K]+ 263.94209 138.0
[M-H]- 223.97165 135.3
[M+Na-2H]- 245.95360 138.9
[M]+ 224.97838 133.8
[M]- 224.97948 133.8
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

No patent data available for this compound.