CID 3085531

1,5-hexadiene, 2,5-dibromo-

Structural Information

Molecular Formula
C6H8Br2
SMILES
C=C(CCC(=C)Br)Br
InChI
InChI=1S/C6H8Br2/c1-5(7)3-4-6(2)8/h1-4H2
InChIKey
NVITZDSUVOEWEO-UHFFFAOYSA-N
Compound name
2,5-dibromohexa-1,5-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.89928 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.906556 132.7
[M+Na]+ 260.888498 143.1
[M-H]- 236.892004 136.9
[M+NH4]+ 255.933103 153.6
[M+K]+ 276.862438 127.3
[M+H-H2O]+ 220.896540 141.0
[M+HCOO]- 282.897481 147.4
[M+CH3COO]- 296.913131 196.8
[M+Na-2H]- 258.873946 138.5
[M]+ 237.89873142 165.0
[M]- 237.89982858 165.0
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.