CID 154577235

3,4-dibromo-1-chloro-3-methylbutan-2-one

Structural Information

Molecular Formula
C5H7Br2ClO
SMILES
CC(CBr)(C(=O)CCl)Br
InChI
InChI=1S/C5H7Br2ClO/c1-5(7,3-6)4(9)2-8/h2-3H2,1H3
InChIKey
LUEACTSBVZYUPO-UHFFFAOYSA-N
Compound name
3,4-dibromo-1-chloro-3-methylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.85522 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.86250 138.9
[M+Na]+ 298.84444 151.0
[M-H]- 274.84794 143.4
[M+NH4]+ 293.88904 159.6
[M+K]+ 314.81838 134.0
[M+H-H2O]+ 258.85248 148.1
[M+HCOO]- 320.85342 149.9
[M+CH3COO]- 334.86907 199.2
[M+Na-2H]- 296.82989 146.1
[M]+ 275.85467 174.0
[M]- 275.85577 174.0
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

No patent data available for this compound.