CID 35343

1,4-dibromo-2,3-bis(bromomethyl)-2-butene

Structural Information

Molecular Formula
C6H8Br4
SMILES
C(C(=C(CBr)CBr)CBr)Br
InChI
InChI=1S/C6H8Br4/c7-1-5(2-8)6(3-9)4-10/h1-4H2
InChIKey
GJZKNORRVIUCCH-UHFFFAOYSA-N
Compound name
1,4-dibromo-2,3-bis(bromomethyl)but-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

71
Patents

395.73596 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.74324 149.9
[M+Na]+ 418.72518 156.3
[M-H]- 394.72868 152.9
[M+NH4]+ 413.76978 160.9
[M+K]+ 434.69912 142.1
[M+H-H2O]+ 378.73322 167.6
[M+HCOO]- 440.73416 155.1
[M+CH3COO]- 454.74981 233.5
[M+Na-2H]- 416.71063 152.2
[M]+ 395.73541 187.7
[M]- 395.73651 187.7
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

No patent data available for this compound.