CID 3032934

Hexabromo-2-butene

Structural Information

Molecular Formula
C4H2Br6
SMILES
C(/C(=C(/C(Br)Br)\Br)/Br)(Br)Br
InChI
InChI=1S/C4H2Br6/c5-1(3(7)8)2(6)4(9)10/h3-4H/b2-1+
InChIKey
VNDVTDGELDURCN-OWOJBTEDSA-N
Compound name
(E)-1,1,2,3,4,4-hexabromobut-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

55
Patents

523.5257 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.53298 167.4
[M+Na]+ 546.51492 166.7
[M+NH4]+ 541.55952 167.7
[M+K]+ 562.48886 167.9
[M-H]- 522.51842 168.0
[M+Na-2H]- 544.50037 167.9
[M]+ 523.52515 167.7
[M]- 523.52625 167.7
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

patents stripe