CID 141399

1,3-dibromo-2-methylpropane

Structural Information

Molecular Formula
C4H8Br2
SMILES
CC(CBr)CBr
InChI
InChI=1S/C4H8Br2/c1-4(2-5)3-6/h4H,2-3H2,1H3
InChIKey
SMGXHVWYXQYMNN-UHFFFAOYSA-N
Compound name
1,3-dibromo-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

741
Patents

213.89928 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.90656 134.4
[M+Na]+ 236.88850 128.9
[M+NH4]+ 231.93310 136.8
[M+K]+ 252.86244 135.5
[M-H]- 212.89200 134.2
[M+Na-2H]- 234.87395 135.3
[M]+ 213.89873 132.4
[M]- 213.89983 132.4
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