CID 75041

Methyldiphenylphosphine oxide

Structural Information

Molecular Formula
C13H13OP
SMILES
CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C13H13OP/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKey
PEGCITODQASXKH-UHFFFAOYSA-N
Compound name
[methyl(phenyl)phosphoryl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1555
Patents

216.0704 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07768 148.1
[M+Na]+ 239.05962 162.8
[M+NH4]+ 234.10422 157.5
[M+K]+ 255.03356 155.0
[M-H]- 215.06312 152.6
[M+Na-2H]- 237.04507 158.7
[M]+ 216.06985 151.7
[M]- 216.07095 151.7
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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