CID 11424966

63621-95-4

Structural Information

Molecular Formula
C6H8Br2
SMILES
C(Br)/C=C/C=C/CBr
InChI
InChI=1S/C6H8Br2/c7-5-3-1-2-4-6-8/h1-4H,5-6H2/b3-1+,4-2+
InChIKey
UPCQGURPQYFOKT-ZPUQHVIOSA-N
Compound name
(2E,4E)-1,6-dibromohexa-2,4-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

237.89928 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.90656 130.1
[M+Na]+ 260.88850 141.2
[M-H]- 236.89200 134.3
[M+NH4]+ 255.93310 151.4
[M+K]+ 276.86244 124.9
[M+H-H2O]+ 220.89654 138.7
[M+HCOO]- 282.89748 146.6
[M+CH3COO]- 296.91313 194.6
[M+Na-2H]- 258.87395 138.2
[M]+ 237.89873 163.5
[M]- 237.89983 163.5
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.