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

0
References

75
Patents

225.89928 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.906556 129.2
[M+Na]+ 248.888498 140.0
[M-H]- 224.892004 133.5
[M+NH4]+ 243.933103 150.7
[M+K]+ 264.862438 124.6
[M+H-H2O]+ 208.896540 137.7
[M+HCOO]- 270.897481 144.9
[M+CH3COO]- 284.913131 194.2
[M+Na-2H]- 246.873946 136.5
[M]+ 225.89873142 162.3
[M]- 225.89982858 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

literature stripe

Patent stripe

patents stripe