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]+ 226.906556 130.4
[M+Na]+ 248.888498 141.0
[M-H]- 224.892004 134.8
[M+NH4]+ 243.933103 151.9
[M+K]+ 264.862438 125.9
[M+H-H2O]+ 208.896540 138.9
[M+HCOO]- 270.897481 145.3
[M+CH3COO]- 284.913131 194.8
[M+Na-2H]- 246.873946 136.7
[M]+ 225.89873142 163.0
[M]- 225.89982858 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

literature stripe

Patent stripe

patents stripe