CID 11117790

1,2-dibromo-3-methylbut-2-ene

Structural Information

Molecular Formula
C5H8Br2
SMILES
CC(=C(CBr)Br)C
InChI
InChI=1S/C5H8Br2/c1-4(2)5(7)3-6/h3H2,1-2H3
InChIKey
KPWHYMNNAHALRM-UHFFFAOYSA-N
Compound name
1,2-dibromo-3-methylbut-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

225.89928 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.90656 130.4
[M+Na]+ 248.88850 141.0
[M-H]- 224.89200 134.8
[M+NH4]+ 243.93310 151.9
[M+K]+ 264.86244 125.9
[M+H-H2O]+ 208.89654 138.9
[M+HCOO]- 270.89748 145.3
[M+CH3COO]- 284.91313 194.8
[M+Na-2H]- 246.87395 136.7
[M]+ 225.89873 163.0
[M]- 225.89983 163.0
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.