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]+ 238.90656 132.7
[M+Na]+ 260.88850 143.1
[M-H]- 236.89200 136.9
[M+NH4]+ 255.93310 153.6
[M+K]+ 276.86244 127.3
[M+H-H2O]+ 220.89654 141.0
[M+HCOO]- 282.89748 147.4
[M+CH3COO]- 296.91313 196.8
[M+Na-2H]- 258.87395 138.5
[M]+ 237.89873 165.0
[M]- 237.89983 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.