CID 129319315

Tris(3-bromophenyl)phosphine oxide

Structural Information

Molecular Formula
C18H12Br3OP
SMILES
C1=CC(=CC(=C1)Br)P(=O)(C2=CC(=CC=C2)Br)C3=CC(=CC=C3)Br
InChI
InChI=1S/C18H12Br3OP/c19-13-4-1-7-16(10-13)23(22,17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18/h1-12H
InChIKey
SSUTVUULXWQIEW-UHFFFAOYSA-N
Compound name
1-bis(3-bromophenyl)phosphoryl-3-bromobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

511.8176 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.82488 190.7
[M+Na]+ 534.80682 197.0
[M-H]- 510.81032 198.4
[M+NH4]+ 529.85142 201.8
[M+K]+ 550.78076 182.6
[M+H-H2O]+ 494.81486 203.8
[M+HCOO]- 556.81580 201.9
[M+CH3COO]- 570.83145 235.1
[M+Na-2H]- 532.79227 191.0
[M]+ 511.81705 230.9
[M]- 511.81815 230.9
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

patents stripe