CID 199471

Butyldiphenylphosphine oxide

Structural Information

Molecular Formula
C16H19OP
SMILES
CCCCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H19OP/c1-2-3-14-18(17,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChIKey
ZEYULRWCONMDRY-UHFFFAOYSA-N
Compound name
[butyl(phenyl)phosphoryl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

258.11734 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12462 163.7
[M+Na]+ 281.10656 169.5
[M-H]- 257.11006 168.5
[M+NH4]+ 276.15116 180.6
[M+K]+ 297.08050 165.3
[M+H-H2O]+ 241.11460 153.9
[M+HCOO]- 303.11554 191.1
[M+CH3COO]- 317.13119 196.7
[M+Na-2H]- 279.09201 166.9
[M]+ 258.11679 164.8
[M]- 258.11789 164.8
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