CID 58752777

Bis(3-bromophenyl)phenylphosphine oxide

Structural Information

Molecular Formula
C18H13Br2OP
SMILES
C1=CC=C(C=C1)P(=O)(C2=CC(=CC=C2)Br)C3=CC(=CC=C3)Br
InChI
InChI=1S/C18H13Br2OP/c19-14-6-4-10-17(12-14)22(21,16-8-2-1-3-9-16)18-11-5-7-15(20)13-18/h1-13H
InChIKey
PKHKPLVXRYPWPO-UHFFFAOYSA-N
Compound name
1-bromo-3-[(3-bromophenyl)-phenylphosphoryl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

433.90707 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.91435 172.0
[M+Na]+ 456.89629 169.2
[M+NH4]+ 451.94089 174.4
[M+K]+ 472.87023 173.7
[M-H]- 432.89979 175.3
[M+Na-2H]- 454.88174 176.3
[M]+ 433.90652 171.7
[M]- 433.90762 171.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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