CID 4366891

1,3-bis(phenylphosphino)propane

Structural Information

Molecular Formula
C15H18P2
SMILES
C1=CC=C(C=C1)PCCCPC2=CC=CC=C2
InChI
InChI=1S/C15H18P2/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2
InChIKey
AVNRJUHUOZDFKS-UHFFFAOYSA-N
Compound name
phenyl(3-phenylphosphanylpropyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

735
Patents

260.08838 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09566 167.0
[M+Na]+ 283.07760 171.8
[M-H]- 259.08110 170.1
[M+NH4]+ 278.12220 184.1
[M+K]+ 299.05154 167.4
[M+H-H2O]+ 243.08564 154.4
[M+HCOO]- 305.08658 200.6
[M+CH3COO]- 319.10223 199.7
[M+Na-2H]- 281.06305 165.7
[M]+ 260.08783 168.6
[M]- 260.08893 168.6
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