CID 3032934

2-butene, 1,1,2,3,4,4-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

117
Patents

523.5257 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.532976 181.7
[M+Na]+ 546.514918 191.5
[M-H]- 522.518424 185.2
[M+NH4]+ 541.559523 187.7
[M+K]+ 562.488858 180.2
[M+H-H2O]+ 506.522960 195.4
[M+HCOO]- 568.523901 184.1
[M+CH3COO]- 582.539551 249.8
[M+Na-2H]- 544.500366 179.7
[M]+ 523.52515142 202.1
[M]- 523.52624858 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