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-bromo-2-pyridinyl)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]+ 225.986206 128.1
[M+Na]+ 247.968148 139.2
[M-H]- 223.971654 136.2
[M+NH4]+ 243.012753 143.0
[M+K]+ 263.942088 131.7
[M+H-H2O]+ 207.976190 123.3
[M+HCOO]- 269.977131 148.1
[M+CH3COO]- 283.992781 189.0
[M+Na-2H]- 245.953596 136.5
[M]+ 224.97838142 153.6
[M]- 224.97947858 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.