CID 6444819

1,4-dibromo-2-methyl-2-butene

Structural Information

Molecular Formula
C5H8Br2
SMILES
C/C(=C\CBr)/CBr
InChI
InChI=1S/C5H8Br2/c1-5(4-7)2-3-6/h2H,3-4H2,1H3/b5-2+
InChIKey
HICPKHPJQJZCFP-GORDUTHDSA-N
Compound name
(E)-1,4-dibromo-2-methylbut-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

99
Patents

225.89928 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.90656 129.2
[M+Na]+ 248.88850 140.0
[M-H]- 224.89200 133.5
[M+NH4]+ 243.93310 150.7
[M+K]+ 264.86244 124.6
[M+H-H2O]+ 208.89654 137.7
[M+HCOO]- 270.89748 144.9
[M+CH3COO]- 284.91313 194.2
[M+Na-2H]- 246.87395 136.5
[M]+ 225.89873 162.3
[M]- 225.89983 162.3
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.