CID 68101

Bromanil

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

14
References

4759
Patents

419.66318 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.670456 141.7
[M+Na]+ 442.652398 148.8
[M-H]- 418.655904 146.1
[M+NH4]+ 437.697003 152.5
[M+K]+ 458.626338 135.7
[M+H-H2O]+ 402.660440 159.8
[M+HCOO]- 464.661381 147.7
[M+CH3COO]- 478.677031 234.6
[M+Na-2H]- 440.637846 144.7
[M]+ 419.66263142 180.2
[M]- 419.66372858 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