CID 11268306

(4-bromophenyl)diphenylphosphine oxide

Structural Information

Molecular Formula
C18H14BrOP
SMILES
C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C18H14BrOP/c19-15-11-13-18(14-12-15)21(20,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
InChIKey
PCYBTUUJXASDIX-UHFFFAOYSA-N
Compound name
1-bromo-4-diphenylphosphorylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

499
Patents

355.99655 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.00383 185.5
[M+Na]+ 378.98577 195.1
[M-H]- 354.98927 195.9
[M+NH4]+ 374.03037 201.8
[M+K]+ 394.95971 182.5
[M+H-H2O]+ 338.99381 181.5
[M+HCOO]- 400.99475 210.1
[M+CH3COO]- 415.01040 208.4
[M+Na-2H]- 376.97122 189.0
[M]+ 355.99600 203.0
[M]- 355.99710 203.0
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

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