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

4725
Patents

419.66318 Da
Monoisotopic Mass

3.6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.