CID 15469924

Bis(4-bromophenyl)phenylphosphine oxide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
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 191.9
[M+Na]+ 456.89629 200.9
[M-H]- 432.89979 202.0
[M+NH4]+ 451.94089 206.4
[M+K]+ 472.87023 185.4
[M+H-H2O]+ 416.90433 197.2
[M+HCOO]- 478.90527 210.2
[M+CH3COO]- 492.92092 222.0
[M+Na-2H]- 454.88174 194.0
[M]+ 433.90652 225.0
[M]- 433.90762 225.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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