CID 3047249

Isobutyldiphenylphosphine oxide

Structural Information

Molecular Formula
C16H19OP
SMILES
CC(C)CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H19OP/c1-14(2)13-18(17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChIKey
HTHUQWLKHLWODH-UHFFFAOYSA-N
Compound name
[2-methylpropyl(phenyl)phosphoryl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

258.11734 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12462 163.4
[M+Na]+ 281.10656 168.9
[M-H]- 257.11006 168.4
[M+NH4]+ 276.15116 180.3
[M+K]+ 297.08050 165.3
[M+H-H2O]+ 241.11460 153.7
[M+HCOO]- 303.11554 189.8
[M+CH3COO]- 317.13119 197.5
[M+Na-2H]- 279.09201 165.4
[M]+ 258.11679 163.9
[M]- 258.11789 163.9
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