CID 199488

Propyldiphenylphosphine oxide

Structural Information

Molecular Formula
C15H17OP
SMILES
CCCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C15H17OP/c1-2-13-17(16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKey
BTTHFKVYULBWAE-UHFFFAOYSA-N
Compound name
[phenyl(propyl)phosphoryl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

193
Patents

244.1017 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10898 158.9
[M+Na]+ 267.09092 165.1
[M-H]- 243.09442 163.9
[M+NH4]+ 262.13552 176.4
[M+K]+ 283.06486 161.2
[M+H-H2O]+ 227.09896 149.3
[M+HCOO]- 289.09990 186.7
[M+CH3COO]- 303.11555 193.7
[M+Na-2H]- 265.07637 162.6
[M]+ 244.10115 159.6
[M]- 244.10225 159.6
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