CID 75521

2435-54-3

Structural Information

Molecular Formula
C6Br4O2
SMILES
C1(=C(C(=O)C(=O)C(=C1Br)Br)Br)Br
InChI
InChI=1S/C6Br4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey
DXKHBLYQXDEINJ-UHFFFAOYSA-N
Compound name
3,4,5,6-tetrabromocyclohexa-3,5-diene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

214
Patents

419.66318 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.67046 141.7
[M+Na]+ 442.65240 148.8
[M-H]- 418.65590 146.1
[M+NH4]+ 437.69700 152.5
[M+K]+ 458.62634 135.7
[M+H-H2O]+ 402.66044 159.8
[M+HCOO]- 464.66138 147.7
[M+CH3COO]- 478.67703 234.6
[M+Na-2H]- 440.63785 144.7
[M]+ 419.66263 180.2
[M]- 419.66373 180.2
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