CID 12567922

63141-05-9

Structural Information

Molecular Formula
C5H8Br2O
SMILES
CC(=O)C(CCBr)Br
InChI
InChI=1S/C5H8Br2O/c1-4(8)5(7)2-3-6/h5H,2-3H2,1H3
InChIKey
XYVHYQRCFGWXLF-UHFFFAOYSA-N
Compound name
3,5-dibromopentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

241.8942 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.90148 132.5
[M+Na]+ 264.88342 142.9
[M-H]- 240.88692 136.7
[M+NH4]+ 259.92802 153.2
[M+K]+ 280.85736 128.0
[M+H-H2O]+ 224.89146 140.6
[M+HCOO]- 286.89240 147.5
[M+CH3COO]- 300.90805 196.7
[M+Na-2H]- 262.86887 138.6
[M]+ 241.89365 166.2
[M]- 241.89475 166.2
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