CID 155822196

1,4-dibromo-3,3-dimethoxybutan-2-one

Structural Information

Molecular Formula
C6H10Br2O3
SMILES
COC(CBr)(C(=O)CBr)OC
InChI
InChI=1S/C6H10Br2O3/c1-10-6(4-8,11-2)5(9)3-7/h3-4H2,1-2H3
InChIKey
NUCIMOWDIVHMKY-UHFFFAOYSA-N
Compound name
1,4-dibromo-3,3-dimethoxybutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.89966 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.90694 141.9
[M+Na]+ 310.88888 152.2
[M-H]- 286.89238 145.9
[M+NH4]+ 305.93348 161.2
[M+K]+ 326.86282 137.7
[M+H-H2O]+ 270.89692 149.7
[M+HCOO]- 332.89786 156.4
[M+CH3COO]- 346.91351 201.5
[M+Na-2H]- 308.87433 148.8
[M]+ 287.89911 178.1
[M]- 287.90021 178.1
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.