CID 20519090

Tributyl(octyl)phosphonium chloride

Structural Information

Molecular Formula
C20H44P
SMILES
CCCCCCCC[P+](CCCC)(CCCC)CCCC
InChI
InChI=1S/C20H44P/c1-5-9-13-14-15-16-20-21(17-10-6-2,18-11-7-3)19-12-8-4/h5-20H2,1-4H3/q+1
InChIKey
KEHGIVWHHBDQAD-UHFFFAOYSA-N
Compound name
tributyl(octyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1125
Patents

315.31805 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.32533 197.9
[M+Na]+ 338.30727 199.8
[M-H]- 314.31077 195.2
[M+NH4]+ 333.35187 213.6
[M+K]+ 354.28121 190.6
[M+H-H2O]+ 298.31531 192.2
[M+HCOO]- 360.31625 220.5
[M+CH3COO]- 374.33190 210.8
[M+Na-2H]- 336.29272 196.9
[M]+ 315.31750 204.7
[M]- 315.31860 204.7
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