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

35
Patents

241.8942 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.901476 131.2
[M+Na]+ 264.883418 141.8
[M-H]- 240.886924 135.4
[M+NH4]+ 259.928023 152.1
[M+K]+ 280.857358 126.7
[M+H-H2O]+ 224.891460 139.4
[M+HCOO]- 286.892401 147.0
[M+CH3COO]- 300.908051 196.1
[M+Na-2H]- 262.868866 138.4
[M]+ 241.89365142 165.4
[M]- 241.89474858 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