CID 10987940

Ethynyl(diphenyl)phosphine oxide

Structural Information

Molecular Formula
C14H11OP
SMILES
C#CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C14H11OP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1,3-12H
InChIKey
DVERTYATJOQUGS-UHFFFAOYSA-N
Compound name
[ethynyl(phenyl)phosphoryl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

226.05475 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06203 154.0
[M+Na]+ 249.04397 163.9
[M-H]- 225.04747 157.1
[M+NH4]+ 244.08857 170.0
[M+K]+ 265.01791 157.2
[M+H-H2O]+ 209.05201 139.2
[M+HCOO]- 271.05295 175.8
[M+CH3COO]- 285.06860 196.3
[M+Na-2H]- 247.02942 157.2
[M]+ 226.05420 148.2
[M]- 226.05530 148.2
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

patents stripe