CID 12199319

1,3-dibromo-3-methylbutan-2-one

Structural Information

Molecular Formula
C5H8Br2O
SMILES
CC(C)(C(=O)CBr)Br
InChI
InChI=1S/C5H8Br2O/c1-5(2,7)4(8)3-6/h3H2,1-2H3
InChIKey
MWDMECGUJZUHCF-UHFFFAOYSA-N
Compound name
1,3-dibromo-3-methylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

241.8942 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.90148 133.9
[M+Na]+ 264.88342 144.9
[M-H]- 240.88692 138.3
[M+NH4]+ 259.92802 154.8
[M+K]+ 280.85736 129.9
[M+H-H2O]+ 224.89146 142.5
[M+HCOO]- 286.89240 148.4
[M+CH3COO]- 300.90805 196.3
[M+Na-2H]- 262.86887 141.3
[M]+ 241.89365 167.7
[M]- 241.89475 167.7
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.