CID 229500

1-bromo-2,2-bis(bromomethyl)butane

Structural Information

Molecular Formula
C6H11Br3
SMILES
CCC(CBr)(CBr)CBr
InChI
InChI=1S/C6H11Br3/c1-2-6(3-7,4-8)5-9/h2-5H2,1H3
InChIKey
HUUMSZPUWMAIHD-UHFFFAOYSA-N
Compound name
1-bromo-2,2-bis(bromomethyl)butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

319.8411 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.84838 142.1
[M+Na]+ 342.83032 150.3
[M-H]- 318.83382 145.8
[M+NH4]+ 337.87492 158.0
[M+K]+ 358.80426 134.2
[M+H-H2O]+ 302.83836 156.9
[M+HCOO]- 364.83930 151.4
[M+CH3COO]- 378.85495 217.3
[M+Na-2H]- 340.81577 147.9
[M]+ 319.84055 182.7
[M]- 319.84165 182.7
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