CID 13152584

Phosphine oxide, diphenylpentyl-

Structural Information

Molecular Formula
C17H21OP
SMILES
CCCCCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C17H21OP/c1-2-3-10-15-19(18,16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-14H,2-3,10,15H2,1H3
InChIKey
NAUPXNHJMXABGJ-UHFFFAOYSA-N
Compound name
[pentyl(phenyl)phosphoryl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

272.133 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14028 168.5
[M+Na]+ 295.12222 173.8
[M-H]- 271.12572 173.1
[M+NH4]+ 290.16682 184.8
[M+K]+ 311.09616 169.4
[M+H-H2O]+ 255.13026 158.4
[M+HCOO]- 317.13120 195.6
[M+CH3COO]- 331.14685 199.7
[M+Na-2H]- 293.10767 171.1
[M]+ 272.13245 169.9
[M]- 272.13355 169.9
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