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

36
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 131.2
[M+Na]+ 264.88342 141.8
[M-H]- 240.88692 135.4
[M+NH4]+ 259.92802 152.1
[M+K]+ 280.85736 126.7
[M+H-H2O]+ 224.89146 139.4
[M+HCOO]- 286.89240 147.0
[M+CH3COO]- 300.90805 196.1
[M+Na-2H]- 262.86887 138.4
[M]+ 241.89365 165.4
[M]- 241.89475 165.4
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