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]+ 238.906556 130.1
[M+Na]+ 260.888498 141.2
[M-H]- 236.892004 134.3
[M+NH4]+ 255.933103 151.4
[M+K]+ 276.862438 124.9
[M+H-H2O]+ 220.896540 138.7
[M+HCOO]- 282.897481 146.6
[M+CH3COO]- 296.913131 194.6
[M+Na-2H]- 258.873946 138.2
[M]+ 237.89873142 163.5
[M]- 237.89982858 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

literature stripe

Patent stripe

patents stripe