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

13
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 139.1
[M+Na]+ 264.88342 133.1
[M+NH4]+ 259.92802 140.9
[M+K]+ 280.85736 140.4
[M-H]- 240.88692 138.1
[M+Na-2H]- 262.86887 139.4
[M]+ 241.89365 136.8
[M]- 241.89475 136.8
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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