CID 3085569

2,5,6-tribromo-1-hexene

Structural Information

Molecular Formula
C6H9Br3
SMILES
C=C(CC[C@@H](CBr)Br)Br
InChI
InChI=1S/C6H9Br3/c1-5(8)2-3-6(9)4-7/h6H,1-4H2/t6-/m0/s1
InChIKey
LCSYWFTZZUKVAF-LURJTMIESA-N
Compound name
(5S)-2,5,6-tribromohex-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.82544 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.83272 139.2
[M+Na]+ 340.81466 146.9
[M-H]- 316.81816 142.8
[M+NH4]+ 335.85926 154.9
[M+K]+ 356.78860 130.9
[M+H-H2O]+ 300.82270 153.7
[M+HCOO]- 362.82364 148.4
[M+CH3COO]- 376.83929 217.5
[M+Na-2H]- 338.80011 143.6
[M]+ 317.82489 179.0
[M]- 317.82599 179.0
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.