CID 88433

20244-61-5

Structural Information

Molecular Formula
C6H2Br4O
SMILES
C1=C(C(=O)C(=CC1(Br)Br)Br)Br
InChI
InChI=1S/C6H2Br4O/c7-3-1-6(9,10)2-4(8)5(3)11/h1-2H
InChIKey
NJQJGRGGIUNVAB-UHFFFAOYSA-N
Compound name
2,4,4,6-tetrabromocyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3846
Patents

405.6839 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.69118 143.5
[M+Na]+ 428.67312 150.6
[M-H]- 404.67662 148.0
[M+NH4]+ 423.71772 155.2
[M+K]+ 444.64706 137.6
[M+H-H2O]+ 388.68116 162.5
[M+HCOO]- 450.68210 149.6
[M+CH3COO]- 464.69775 233.3
[M+Na-2H]- 426.65857 147.3
[M]+ 405.68335 182.3
[M]- 405.68445 182.3
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