CID 22915095

1,4-dibromobutan-2-one

Structural Information

Molecular Formula
C4H6Br2O
SMILES
C(CBr)C(=O)CBr
InChI
InChI=1S/C4H6Br2O/c5-2-1-4(7)3-6/h1-3H2
InChIKey
OHXYQDOETYHEDS-UHFFFAOYSA-N
Compound name
1,4-dibromobutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

227.87854 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.88582 136.0
[M+Na]+ 250.86776 130.3
[M+NH4]+ 245.91236 137.9
[M+K]+ 266.84170 137.0
[M-H]- 226.87126 135.4
[M+Na-2H]- 248.85321 136.5
[M]+ 227.87799 133.8
[M]- 227.87909 133.8
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