CID 22914963

1,5-dibromopentan-2-one

Structural Information

Molecular Formula
C5H8Br2O
SMILES
C(CC(=O)CBr)CBr
InChI
InChI=1S/C5H8Br2O/c6-3-1-2-5(8)4-7/h1-4H2
InChIKey
XNNMOQKUPLXENA-UHFFFAOYSA-N
Compound name
1,5-dibromopentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

241.8942 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.90148 139.4
[M+Na]+ 264.88342 133.6
[M+NH4]+ 259.92802 141.3
[M+K]+ 280.85736 140.1
[M-H]- 240.88692 138.7
[M+Na-2H]- 262.86887 139.7
[M]+ 241.89365 137.2
[M]- 241.89475 137.2
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