CID 30652

Bromofenofos

Structural Information

Molecular Formula
C12H7Br4O5P
SMILES
C1=C(C=C(C(=C1C2=C(C(=CC(=C2)Br)Br)OP(=O)(O)O)O)Br)Br
InChI
InChI=1S/C12H7Br4O5P/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)21-22(18,19)20/h1-4,17H,(H2,18,19,20)
InChIKey
MMYHZEDBTMXYAF-UHFFFAOYSA-N
Compound name
[2,4-dibromo-6-(3,5-dibromo-2-hydroxyphenyl)phenyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

18
References

254
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 183.1
[M+Na]+ 600.66567 187.7
[M-H]- 576.66917 186.1
[M+NH4]+ 595.71027 190.2
[M+K]+ 616.63961 174.8
[M+H-H2O]+ 560.67371 198.7
[M+HCOO]- 622.67465 187.5
[M+CH3COO]- 636.69030 241.6
[M+Na-2H]- 598.65112 181.2
[M]+ 577.67590 221.0
[M]- 577.67700 221.0
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