CID 89962

Bromophenophos

Structural Information

Molecular Formula
C12H7Br4O5P
SMILES
C1=C(C=C(C(=C1O)C2=C(C=C(C=C2Br)Br)OP(=O)(O)O)Br)Br
InChI
InChI=1S/C12H7Br4O5P/c13-5-1-7(15)11(9(17)3-5)12-8(16)2-6(14)4-10(12)21-22(18,19)20/h1-4,17H,(H2,18,19,20)
InChIKey
GGGATFRVOBEKQO-UHFFFAOYSA-N
Compound name
[3,5-dibromo-2-(2,4-dibromo-6-hydroxyphenyl)phenyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

45
Patents

577.67645 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.68373 169.5
[M+Na]+ 600.66567 164.4
[M+NH4]+ 595.71027 170.1
[M+K]+ 616.63961 170.6
[M-H]- 576.66917 171.3
[M+Na-2H]- 598.65112 170.2
[M]+ 577.67590 169.7
[M]- 577.67700 169.7
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