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

77
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

literature stripe

Patent stripe

patents stripe