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

104
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 127.0
[M+Na]+ 250.86776 138.0
[M-H]- 226.87126 131.3
[M+NH4]+ 245.91236 148.3
[M+K]+ 266.84170 123.1
[M+H-H2O]+ 210.87580 135.4
[M+HCOO]- 272.87674 143.1
[M+CH3COO]- 286.89239 193.8
[M+Na-2H]- 248.85321 134.8
[M]+ 227.87799 161.0
[M]- 227.87909 161.0
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

patents stripe