CID 211416

23079-39-2

Structural Information

Molecular Formula
C12H5Br4O4P
SMILES
C1=C(C=C(C2=C1C3=C(C(=CC(=C3)Br)Br)OP(=O)(O2)O)Br)Br
InChI
InChI=1S/C12H5Br4O4P/c13-5-1-7-8-2-6(14)4-10(16)12(8)20-21(17,18)19-11(7)9(15)3-5/h1-4H,(H,17,18)
InChIKey
IDNDPKSRNHNNBT-UHFFFAOYSA-N
Compound name
2,4,8,10-tetrabromo-6-hydroxybenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

559.6659 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.67318 169.0
[M+Na]+ 582.65512 174.1
[M-H]- 558.65862 173.5
[M+NH4]+ 577.69972 177.4
[M+K]+ 598.62906 165.3
[M+H-H2O]+ 542.66316 185.6
[M+HCOO]- 604.66410 173.9
[M+CH3COO]- 618.67975 175.1
[M+Na-2H]- 580.64057 169.9
[M]+ 559.66535 205.6
[M]- 559.66645 205.6
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.