CID 3032934

2-butene, hexabromo-

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
3
Annotation Hits

0
References

63
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 181.7
[M+Na]+ 546.51492 191.5
[M-H]- 522.51842 185.2
[M+NH4]+ 541.55952 187.7
[M+K]+ 562.48886 180.2
[M+H-H2O]+ 506.52296 195.4
[M+HCOO]- 568.52390 184.1
[M+CH3COO]- 582.53955 249.8
[M+Na-2H]- 544.50037 179.7
[M]+ 523.52515 202.1
[M]- 523.52625 202.1
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