CID 146082553

3-(5-bromopyridin-2-yl)cyclobutan-1-one

Structural Information

Molecular Formula
C9H8BrNO
SMILES
C1C(CC1=O)C2=NC=C(C=C2)Br
InChI
InChI=1S/C9H8BrNO/c10-7-1-2-9(11-5-7)6-3-8(12)4-6/h1-2,5-6H,3-4H2
InChIKey
HMRVJYTWOQYECL-UHFFFAOYSA-N
Compound name
3-(5-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 128.1
[M+Na]+ 247.96815 139.2
[M-H]- 223.97165 136.2
[M+NH4]+ 243.01275 143.0
[M+K]+ 263.94209 131.7
[M+H-H2O]+ 207.97619 123.3
[M+HCOO]- 269.97713 148.1
[M+CH3COO]- 283.99278 189.0
[M+Na-2H]- 245.95360 136.5
[M]+ 224.97838 153.6
[M]- 224.97948 153.6
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.