CID 162361

2,5-dibromohexane-3,4-dione

Structural Information

Molecular Formula
C6H8Br2O2
SMILES
CC(C(=O)C(=O)C(C)Br)Br
InChI
InChI=1S/C6H8Br2O2/c1-3(7)5(9)6(10)4(2)8/h3-4H,1-2H3
InChIKey
QISBUOBKMZFWRW-UHFFFAOYSA-N
Compound name
2,5-dibromohexane-3,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

269.8891 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.89638 138.6
[M+Na]+ 292.87832 148.3
[M-H]- 268.88182 142.7
[M+NH4]+ 287.92292 158.2
[M+K]+ 308.85226 133.7
[M+H-H2O]+ 252.88636 146.3
[M+HCOO]- 314.88730 152.0
[M+CH3COO]- 328.90295 201.1
[M+Na-2H]- 290.86377 142.2
[M]+ 269.88855 172.0
[M]- 269.88965 172.0
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.