CID 11791395

2,4-dibromo-3-pentanone

Structural Information

Molecular Formula
C5H8Br2O
SMILES
CC(C(=O)C(C)Br)Br
InChI
InChI=1S/C5H8Br2O/c1-3(6)5(8)4(2)7/h3-4H,1-2H3
InChIKey
UOPIOAUZQKSZRO-UHFFFAOYSA-N
Compound name
2,4-dibromopentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

325
Patents

241.8942 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.90148 135.8
[M+Na]+ 264.88342 129.6
[M+NH4]+ 259.92802 137.6
[M+K]+ 280.85736 137.3
[M-H]- 240.88692 134.9
[M+Na-2H]- 262.86887 136.0
[M]+ 241.89365 133.4
[M]- 241.89475 133.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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